diff --git a/.gitignore b/.gitignore
index b8bd0267..42f62cb4 100644
--- a/.gitignore
+++ b/.gitignore
@@ -26,3 +26,42 @@
*.exe
*.out
*.app
+
+# eclipse files
+.project
+.settings
+.cproject
+.autotools
+.*
+
+# temporary autotools files
+config.*
+Makefile
+autom4te.cache
+configure
+missing
+install-sh
+depcomp
+aclocal.m4
+Makefile.in
+compile
+*/.deps
+*/.deps/*
+/intaRNA-*.tar.gz
+
+
+# temp dir
+tmp
+tmp/*
+tests/logs
+tests/logs/*
+
+/1
+/RNAup
+/IntaRNA-1
+/IntaRNA-1.out2
+/q.fasta
+/q2.fasta
+/seq.fasta
+/t.fasta
+/t2.fasta
diff --git a/.travis.yml b/.travis.yml
index 9405fc51..594adbc9 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -1,15 +1,44 @@
-sudo: false
language: cpp
+cache:
+ apt: true
+
+addons:
+ apt:
+ sources:
+ - ubuntu-toolchain-r-test
+ packages:
+ - gcc-4.9
+ - g++-4.9
+
os:
- - linux
+ - linux
+
compiler:
- - gcc
-
+ - gcc
+
+before_install:
+ - wget http://repo.continuum.io/miniconda/Miniconda-latest-Linux-x86_64.sh -O miniconda.sh
+ - chmod +x miniconda.sh
+ - "./miniconda.sh -b"
+ - export PATH=/home/travis/miniconda2/bin:$PATH
+ - conda update --yes conda
+ - conda install --yes viennarna automake boost -c conda-forge -c bioconda
+ - export CONDA_PATH=/home/travis/miniconda2/
+ - export CONDA_LIB_PATH=/home/travis/miniconda2/lib
+ - ls $CONDA_LIB_PATH
+ - ls $CONDA_PATH/include
+ - export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$CONDA_LIB_PATH
+
script:
- # download and compile ViennaRNA dependency
- - wget https://depot.galaxyproject.org/software/vienna_rna/vienna_rna_1.8_src_all.tar.gz
- - tar xvfz vienna_rna_1.8_src_all.tar.gz
- - cd ViennaRNA-1.8.5 && ./configure --prefix=$HOME/vienna --without-perl && make && make install
- - cd $TRAVIS_BUILD_DIR && ./configure --with-RNA=$HOME/vienna --prefix=$HOME/IntaRNA && make && make install
- - $HOME/IntaRNA/bin/IntaRNA -h
+ - RNAalifold --version
+ ##### start IntaRNA build #####
+ - cd $TRAVIS_BUILD_DIR
+ # generate autotools's files
+ - bash autotools-init.sh
+ - CC=gcc-4.9 CXX=g++-4.9 ./configure --with-boost=$CONDA_PATH --with-RNA=$CONDA_PATH --prefix=$HOME/IntaRNA
+ # compile, test and install IntaRNA
+ - make && make tests && make install
+ ##### check IntaRNA build #####
+ # run IntaRNA with help output
+ - $HOME/IntaRNA/bin/IntaRNA -h
diff --git a/AUTHORS b/AUTHORS
index fbc21bae..74bf2617 100644
--- a/AUTHORS
+++ b/AUTHORS
@@ -1,3 +1,15 @@
-Anke Busch http://www.bioinf.uni-freiburg.de/~abusch/
-Andreas Richter http://www.bioinf.uni-freiburg.de/
-Sven Siebert
+
+#############################################################
+ version 2.*
+#############################################################
+
+- Martin Mann
+
+#############################################################
+ version 1.*
+#############################################################
+
+- Anke Busch
+- Andreas Richter
+- Sven Siebert
+
diff --git a/COPYING b/COPYING
deleted file mode 120000
index 7a694c96..00000000
--- a/COPYING
+++ /dev/null
@@ -1 +0,0 @@
-LICENSE
\ No newline at end of file
diff --git a/COPYING b/COPYING
new file mode 100644
index 00000000..fc9a34e3
--- /dev/null
+++ b/COPYING
@@ -0,0 +1 @@
+see LICENSE file
\ No newline at end of file
diff --git a/ChangeLog b/ChangeLog
index 9888b64d..018bfd7b 100644
--- a/ChangeLog
+++ b/ChangeLog
@@ -1,3 +1,1400 @@
+
+170206 Martin Mann :
+ * src/Makefile.am :
+ + AUTOMAKE_OPTIONS = std-options : checks for std options of binary
+ * tests/Makefile.am :
+ * tests now build via 'check' make target (autotools-based setup)
+ * Makefile.am :
+ * adaptions to test Makefile changes
+
+170203 Martin Mann :
+ * configure.ac :
+ + check for VRNA >= 2.3.0 via function 'vrna_md_copy' exists
+ * AccessibilityConstraint
+ + maxBpSpan + getter : maximal base pair span to be considered for
+ accessibility computation
+ * Accessibility* :
+ - getES() : now part of InteractionEnergy interface
+ * AccessibilityVrna :
+ - EsMatrix : moved to InteractionEnergyVrna
+ - esValues : moved to InteractionEnergyVrna
+ - computeES() : moved to InteractionEnergyVrna
+ * constructor() :
+ - plFoldL : now via AccessibilityConstraint.getMaxBpSpan()
+ - computeES
+ * ED >= 0 ensured
+ * InteractionEnergy :
+ * getES*() now abstract and to be implemented in subclass
+ - getES*() implementation based on Accessibility interface
+ * InteractionEnergyBasePair :
+ + getES*() : throws exception since not implemented yet
+ * constructor() :
+ + initES : whether or not to compute precompute ES values
+ * InteractionEnergyVrna :
+ * constructor() :
+ + initES : whether or not to compute precompute ES values
+ + EsMatrix data type
+ + esValues1/2 : optional ES value data
+ + getES*() : returns esValues* entry if available; throws exception otherwise
+ + computeES() : inits ES values based on VRNA routines
+ * VrnaHandler :
+ * getModel() :
+ * uses now vrna_md_copy() (VRNA >= 2.3.0) for model copying
+ * CommandLineParsing :
+ * energy :
+ - 'F' : replaced by 'V'
+ + 'V' : VRNA based computation
+ - OutputMode : replaced by char encoding
+ * outMode : now char encoding
+ * OutputHandlerText :
+ + detailedOutput : flag to switch between detailed and reduced output
+ * add() :
+ + heads detailedOutput flag
+ * construction() :
+ + detailedOutput flag handling
+ * PredictorMfe2d :
+ * initHybridE() :
+ + outConstraint argument
+ * bugfix : maxE check was not considering outConstraint.maxE
+ * fillHybridE() :
+ + outConstraint argument
+ * PredictorMfe4d* :
+ * predict :
+ * bugfix : maxE check was not considering outConstraint.maxE
+
+170202 Martin Mann :
+ * CommandLineParsing :
+ * outMaxE maximum now 999 (was 0)
+ - PredictionMode : replaced by char-based setup
+ * seedMaxUPq -> seedQMaxUP
+ * seedMaxUPt -> seedTMaxUP
+ * seedRangeq -> seedQRange
+ * seedRanget -> seedTRange
+ + pred + validator : setup of prediction target (mfe-si, maxprob-si, ...)
+ * predMode :
+ * char-based setup
+ - max-prob mode (now selected via --pred=P)
+ * outOverlap : char-based setup
+ * outAccFileq -> outQAccFile
+ * outAccFilet -> outTAccFile
+ * outPuFileq -> outQPuFile
+ * outPuFilet -> outTPuFile
+ * get*Accessibility() :
+ * computeES setup now via pred.val
+ * getPredictor() :
+ + support for different prediction targets via pred.val switch
+ * OutputConstraint :
+ * constructor() :
+ - (maxE < 0) check removed
+ + intarna_config.h.in : header containing package version and configure
+ information
+ * configure.ac :
+ + generate intarna_config.h
+ + AC_SUBST(INTARNA_MULITHREADING)
+ * AccessibilityDisabled :
+ * getES() :
+ - no error is thrown anymore
+ * perl/*.pl : adaptions to CLI changes
+
+170201 Martin Mann :
+ * CommandLineParsing :
+ * max sequence number now 99999
+ * setup of threads parameter only if INTARNA_MULITHREADING
+ * configure.ac :
+ + --disabled-multithreading : sets INTARNA_MULITHREADING to 0, otherwise 1
+ * enclose all OMP stuff with INTARNA_MULITHREADING preprocessor checks
+ * AccessibilityVrna :
+ * computeES() : bugfix
+
+170131 Martin Mann :
+ * CommandLineParsing :
+ + opts_cmdline_short : short option list for abbreviated help output
+ * constructor() :
+ + setup of opts_cmdline_short
+ * parse()
+ + handling of short and full help output
+ + disallow multi-threading for IntaRNA v1 output (due to separators)
+ * q|tAcc : renamed 'F' option to 'C' for 'computation of accessibilities'
+ * adaption to OutputHandlerIntaRNA1* rename
+ + OutputMode::V1_NORMAL : normal version 1.* output
+ + threads + validate + getter : OMP max thread number
+ - OutputHandlerIntaRNA1detailed : renamed to OutputHandlerIntaRNA1
+ + OutputHandlerIntaRNA1 : former OutputHandlerIntaRNA1detailed
+ + detailedOutput : flag to switch between detailed and normal v1 output
+ + OMP : ensure no parallel write to output stream
+ * perl/IntaRNA*_1ui.pl :
+ + normal output enabled (-o flag now with effect)
+ * intaRNA :
+ * adaption to OutputHandlerIntaRNA1* rename
+ + OMP : parallelization of target/query processing
+ + OMP : exception handling within parallelized loops due to missing OMP
+ exception forwarding
+ * final exception handling now always returns -1 (even in debug mode)
+ * OutputHandlerCsv :
+ + E_loops output
+ + OMP : ensure no parallel write to output stream
+ * OutputHandlerText :
+ + OMP : ensure no parallel write to output stream
+ * AccessibilityVrna :
+ + OMP : ensure no parallel VRNA-calls since not threadsafe
+ + m4/m4_ax_openmp.mp4 : OMP checks
+ * configure.ac :
+ - backward compatibility stuff for autoconf < 2.65
+ + OMP check and AM_CXXFLAGS setup
+
+170130 Martin Mann :
+ * CommandLineParsing :
+ + stdinUsed : flag to ensure STDIN is used for input only once
+ + setStdinUsed() : sets stdinUsed = true if not already or throws log
+ otherwise
+ * q/tAcc :
+ + 'P' : unpaired probabilities in RNAplfold style from --q/tAccFile
+ + 'E' : ED values in RNAplfold-Pu-like style from --q/tAccFile
+ + validate_q/tAccFile()
+ * get*Accessibility() :
+ + AccessibilityFromStream support
+ * bugfix : maxLength setup has to be = min(maxLength,accW)
+ + outAccFile* + validate : output ED values to file/stream
+ + outPuFile* + validate : output Pu values to file/stream
+ + validate_outputTarget() : generic text function for stream names
+ * validate_out() : calls validate_outputTarget()
+ + write*Accessibility() : write the given accessibility to file/stream if
+ requested by the user
+ + writeAccessibility() : writes accessibility data to file/stream in the
+ requested format
+ * q/tIntLenMax argument info :
+ + information that --q/tAccW might overwrite
+ * Accessibility :
+ * getMaxLength() : return value non-const size_t
+ + writeRNAplfold_ED_text() : Pu output in RNAplfold style
+ + writeRNAplfold_Pu_text() : ED output in RNAplfold style
+ + writeRNAplfold_text() : generic RNAplfold Pu-styled text output
+ * AccessibilityFromStream :
+ + InStreamType::ED_RNAplfold_Text : ED input in RNAplfold style
+ + parseED_RNAplfold_text() : read ED input in RNAplfold style
+ * parsePu_RNAplfold_text() : using parseRNAplfold_text()
+ + parseRNAplfold_text() : generic RNAplfold Pu-styled text input
+ + reduces availMaxLength if not enough data in input and outputs a user
+ information
+ + availMaxLength : stores the maximal window length parsed from the input,
+ init = Accessibility::getMaxLength()
+ + getMaxLength() : provides availMaxLength
+ * AccessibilityVrna :
+ * getED() :
+ + accessibility constraint check
+ * AccessibilityConstraint :
+ + isAccessible( range )
+ + isMarkedAccessible( range )
+ + isMarkedBlocked( range )
+ + isUnconstrained( range )
+ * README.md :
+ + docu for read/write of ED and Pu values for accessibility initialization
+
+170129 Martin Mann :
+ * PredictorMfe2dHeuristic* :
+ * fillHybrid*() :
+ + interaction length check before energy evaluation
+
+170128 Martin Mann :
+ * Makefile :
+ + info for testing directive
+ * AccessibilityDisabled :
+ * constructor :
+ - defaults removed
+ * AccessibilityVrna :
+ * constructor :
+ * argument order changed
+ + AccessibilityFromStream : populates ED values from stream
+ + InStreamType::Pu_RNAplfold_Text
+ + parsePu_RNAplfold_Text() : parse RNAplfold unpaired probability text output
+ * CommandLineParsing :
+ + q/tAccFile : file/stream to read accessibilities from
+ + q/tAcc :
+ + 'P' : read unpaired probability from file : RNAplfold text output
+ + stream name checks now case insensitive
+
+170127 Martin Mann :
+ * SeedConstraint :
+ + maxED + getter : maximal ED value per sequence for a seed region
+ * constructor ()
+ + maxED
+ * SeedHandler :
+ * fillSeed() :
+ + skip seed regions with ED > maxED
+ * RnaSequence :
+ * SequenceAlphabet order changed
+ * OutputHandlerText :
+ * add() :
+ + seed ED values added
+ * OutputHandlerCsv :
+ + Pu, seedPu, start/end, ED, E_*, seedStart/End, seedED
+ * id : replacement of colSep occurrences
+ * CommandLineParsing :
+ + seedMinPu + validator
+ * constructor() :
+ + seedMaxED argument
+ * outCsvCol : + spaces to unlink ID list
+ * outCsvCols_default = id1,start1,end1,id2,start2,end2,subseqDP,hybridDP,E
+ * intaRNA :
+ + storing of queryAcc object to avoid recomputation for different targets
+
+170126 Martin Mann :
+ * Interaction :
+ + dotBracket() : converts to VRNA-like dot-bracket notation
+ + dotBar() : converts to position+interaction encoding using dot and bar
+ + dotSomething() : generic function to generate substrings for dotBracket()
+ and dotBar()
+ * test/Interaction :
+ + dotBracket()
+ + dotBar()
+ * PredictorMfe :
+ * reportOptima() :
+ * bugfix : nextBest() called too often
+ * OutputHandlerText :
+ * add(range) inlined
+ + OutputHandlerCsv : produces customizable CVS table output
+ * CommandLineParsing :
+ * OutputMode :
+ + CSV
+ + outCsvCols* + validator : argument variable + default value
+ + initOutputHandler() : prints initial output
+ * constructor :
+ * outMode argument : support for CSV
+ + outCsvCols argument
+ * out argument : short option removed
+ * parse() :
+ + parseStyle setup to guide parsing
+ - intial output moved to initOutputHandler()
+ + initOutputHandler() call
+ + CSV check
+ * getOutputHandler() :
+ + CSV
+ * intaRNA :
+ + generic exception handling
+
+170125 Martin Mann :
+ * perl/*.pl :
+ * bugfix : -L setup was using -w argument
+
+170123 Martin Mann :
+ * AccessibilityVrna :
+ * fillByConstraints() : bugfix of line shift for ED filling
+ * fillByRNAplfold() :
+ * fillByRNAup() :
+ + explicit handling of Pu == 0 to trigger ED = ED_UPPER_BOUND
+ * intaRNA :
+ * debug exception catch message extended (debugger hint)
+ * PredictorMfe2dHeuristic :
+ * PredictorMfe2dHeuristicSeed :
+ * traceBack() : bugfix : right boundary (j1,j2) could be inserted again
+ * loop check simplified
+ * CommandLineParsing :
+ * fix of plfold L <= W check (only enabled if W>0)
+
+170122 Martin Mann :
+ * AccessibilityVrna :
+ * fillByRNAplfold : bugfix memleak (pl return value not freed)
+ * consistent use of CLEANUP() to deallocate memory allocations done via 'new'
+ * intaRNA :
+ * global try-catch-block now always enabled but forwards exception in debug
+ mode (for debugger use)
+ * PredictorMaxProb* :
+ * PredictorMfe4d* :
+ * clear() : bugfix memleak (4th dimension not freed)
+ * RnaSequence :
+ * SequenceAlphabet now 'ACGUN' to simplify checks
+
+170120 Martin Mann :
+ * Accessibility :
+ + getES() : computes the ensemble energy of all local structures of a
+ subsequence under the assumption that the subsequence is part of a
+ multiloop
+ * AccessibilityDisabled :
+ + getES() : throws an exception since not computable
+ * AccessibilityVrna :
+ + EsMatrix type = triangular matrix
+ + esValues : stores ES values if non-NULL
+ + getES() : computed via McCaskill algorithm
+ * constructor() :
+ * vrnaHandler now const
+ + computeES argument to trigger ES computation
+ * RNAup-based ED computation also when plFoldW > seqLength
+ + computeES() : computes the ES values via VRNA 3 interface
+ * CommandLineParsing :
+ * get*Accessibility() :
+ + computeES flag = true in DEBUG mode (has to be replace by predictor
+ selection based setup)
+ * InteractionEnergy :
+ * getES*() : now implemented based on accS*.getES()
+ + getEU() abstract : energy for k unpaired bases within a multiloop
+ * InteractionEnergyBasePair :
+ - getES*() : implemented in superclass
+ + getEU() : returns 0
+ * InteractionEnergyIdxOffset :
+ + getEU() forward
+ * InteractionEnergyVrna :
+ - getES*() : implemented in superclass
+ + getEU() : returns k * VRNA.MLbase
+ * ReverseAccessibility :
+ + getES() forward
+
+170119 Martin Mann :
+ * CommandLineParsing :
+ + out : output stream selection
+ + outStream : output stream to write to
+ + argument 'outMode' : former 'out'
+ * argument 'out' now sets output stream
+ * getOutputStream() : returns now outStream
+ * destructor()
+ + deletion of outStream if file stream
+ * parse() :
+ + creation of file stream for output if out != STDOUT|STDERR
+ * perl/*.pl :
+ * adaptions to argument change
+
+170118 Martin Mann :
+ * CommandLineParsing :
+ * validate_sequenceArgument() :
+ * parseSequences() :
+ * uses now RnaSequence::isValidSequenceIUPAC()
+
+170117 Martin Mann :
+ * RnaSequence :
+ * SequenceAlphabet : now 'ACGU' only
+ + SequenceAlphabetIUPAC : all IUPAC-conform nucleotide encodings
+ * areComplementary() :
+ * getCodeForChar() :
+ * getUpperCase() :
+ + checks in debug mode only
+ * isAmbiguous() :
+ * check reduced to 'N'
+ * RnaSequence() :
+ * ambiguity check uses now converted sequence
+ + isValidSequenceIUPAC() : check for IUPAC conformity
+ * CommandLineParsing :
+ * validateSequenceAlphabet() :
+ * now checks with RnaSequence::isValidSequenceIUPAC()
+ + information about IUPAC sequence encoding
+
+170111 Martin Mann :
+ * CommandLineParsing :
+ * IntaRNA v1 input details corrected
+
+161230 Martin Mann :
+ * CommandLineParsing :
+ * parseSequencesFasta() :
+ + bugfix : was not reading final lines without newline at the end
+ * OutputHandlerIntaRNA1detailed :
+ * output corrected
+
+161229 Martin Mann :
+ * CommandLineParsing :
+ * IntaRNA_v1_detailed init output now more like v1 output
+ * PredictorMfe2dHeuristic* :
+ * getNextBest() :
+ * bugfix : seq1 range overlap check
+ * PredictorMfe4d :
+ * getNextBest() :
+ * bugfix : getE() using wrong index order
+ * PredictorMfe4dSeed :
+ * getNextBest() :
+ * bugfix : getE() using wrong index order
+ * predict() :
+ * bugfix : hybridE_seed resize missing
+ * fillHybridE_seed() :
+ + additional early check for too small interaction sites (no seed)
+ * traceBack() :
+ * bugfix : energy check right of seed corrected
+ * bugfix : check entry existence before access
+ * intaRNA :
+ + exception catch + handling only in non-debug mode (eases debug)
+
+161224 Martin Mann :
+ * OutputHandler :
+ + reportedInteractions : count of reported interactions
+ + reported() : returns reportedInteractions
+ * intaRNA :
+ + setup of separator output for IntaRNA v1 output
+ * OutputHandlerIntaRNA1detailed :
+ + intialOutputDone : tag to store whether or not something was already done
+ + prinSeparator : tag whether or not a separator is to be printed
+ * constructor()
+ - initial output (now part of add())
+ * add()
+ + initial output for first reported interactions
+ + counting of non-empty interactions
+ + addSeparator() : sets printSeparator
+
+161222 Martin Mann :
+ * perl/IntaRNA_1ui.pl :
+ - seed energy restriction (only needed to mimic IntaRNA v1 behaviour)
+ + output mode setup
+ * CommandLineParsing :
+ + OutputMode : enum for different output modes
+ + PredictionMode_min/max
+ + outMode + validator : output mode argument variable
+ * predMode : init via min/max enum entries
+ * constructor :
+ * argument values via toString() and enum entries to be consistent
+ + '--out,-o' : argument to setup output mode
+ * parse() :
+ + IntaRNA1_detailed input output
+ * getOutputHandler() :
+ - IntaRNA1_detailed input output
+ + switch based on outMode.val
+ * getPredictor() :
+ + PredictorMfe4dSeed support
+ * OutputHandlerIntaRNA1detailed :
+ * output corrected
+ + perl/IntaRNA_up_1ui.pl : IntaRNA v1-styled interface wrapper for IntaRNA_up,
+ i.e. RNAup like computation (4d space&time) including seed constraints
+ + PredictorMfe4dSeed : seed-constraint incorporating full RNAup-like predictor
+
+161221 Martin Mann :
+ * RnaSequence :
+ * SequenceAlphabet += tT
+ * getUpperCase() :
+ * replacement of 'T' with 'G'
+ * Predictor :
+ * updateOptima() : additional flag to avoid recomputation of overall energy
+ * PredictorMfe2dHeuristic* :
+ * fillHybridE() :
+ + temporary vars to reduce full energy recomputation
+ * SeedHandler :
+ * fillSeed() :
+ + returns now the number of valid seeds found
+ * PredictorMfe2dHeuristicSeed :
+ * predict() :
+ + stops computation if
+ + no seed interaction possible
+ + mfe without seed not < outConstraint.maxE
+ * SeedHandler :
+ * best hybrid energy now via table access (avoid recomputation)
+ * Predictor*Seed :
+ * bugfix : reported seed energy missed E_init term
+ * OutputHandlerIntaRNA1detailed :
+ * bugfix : newline missing at end of each interaction output
+
+161219 Martin Mann :
+ * src/Makefile :
+ * bin file name changed to "IntaRNA"
+ * .travis : bin file name changed
+ + perl/IntaRNA-1ui.pl : wrapper to enable IntaRNA v1 like parameter usage
+ * OutputConstraint :
+ + maxE : maximal energy to be reported
+ * CommandLineParsing :
+ + outMaxE + validator : argument for maximal energy of reported interactions
+ * PredictorMfe :
+ * initOptima() : initializes with OutputConstraint.maxE
+ * reportOptima() : ensures energy is below OutputConstraint.maxE
+ * .gitignore :
+ + .* : all hidden files ignored
+ + perl/Makefile.am
+ + perl wrapper packaging and install
+ * configure.ac :
+ + perl/Makefile
+
+161216 Martin Mann :
+ * README.md
+ + feature comparison table started
+ + configure.ac :
+ * -fopenmp now always added to CXXFLAGS (also if VRNA path not specified)
+ + OutputHandlerIntaRNA1detailed : output similar to IntaRNA v1.2.*
+ * CommandLineParsing :
+ * getOutputHandler() :
+ + temporarily : init output of IntaRNA 1.* mode
+ * temporarily : IntaRNA 1 output
+ + getOutputStream() : stream to be passed to OutputHandler instances
+
+161215 Martin Mann :
+ * AccessibilityConstraint :
+ * construction : bugfix reverse handling
+ * CommandLineParsing :
+ * getSeedConstraint()
+ + now with energy argument arguments to access seed lengths
+ + reverses seed ranges for seq2
+ * IndexRangeList :
+ * List now std::list (before std::vector)
+ + covers(range) + tests
+ + reverse() + tests : reverses the indices and range order
+ * PredictorMfe2d :
+ * PredictorMfe2dSeed :
+ * predict() : bugfix : throw without "new"
+ * Predictor*Seed :
+ * bugfix : uses now SeedHandlerIdxOffset instead of SeedHandler
+ + seed handler offset setup
+ * RnaSequence :
+ * areComplementary() : bugfix : throw without "new"
+ * SeedConstraint :
+ * members not const (otherwise getter not needed)
+ + getRanges*() : write access for ranges
+ * SeedHandler :
+ * public functions virtual
+ + offset* : index offset (needed for restricted matrices)
+ * fillSeed() :
+ * bugfix : sanity checks corrected
+ * bugfix : index offset was missing
+ * traceBack() :
+ * bugfix : index offset was missing
+ + SeedHandlerIdxOffset : index shift wrapper for SeedHandler
+
+161214 Martin Mann :
+ * intaRNA :
+ * query/target enumeration swapped, such that seq1 == target in prediction
+ and output
+ * OutputConstraint : data structure defining all output constraints
+ + enum ReportOverlap : 4 possibilities where overlapping is allowed
+ + reportMax : max number of (suboptimal) interactions to report
+ + reportOverlap : the overlap constraint for reported interactions
+ + deltaE : maximal energy difference to mfe to be reported
+ * Predictor :
+ * reportMax/reportNonOverlapping replaced by outConstraint
+ * predict()
+ * initOptima()
+ * reportOptima()
+ * IndexRange :
+ + regex : regex to match valid string encoding
+ + fromString() : parse string encoding
+ + operator == ()
+ + operator != ()
+ * operator << () : now regex conform
+ * IndexRangeList :
+ + regex : regex to match valid string encoding
+ + fromString() : parse string encoding
+ * operator << () : regex conform
+ + operator == ()
+ + operator != ()
+ * insert() :
+ + no duplicated insertions
+ + overlap checks
+ * overlaps() : bugfix of predecessor check
+ + shift() : shifts all indices by a given term and creates a new valid list
+ * CommandLineParsing :
+ - outNonOverlapping : replaced by outOverlap
+ - isOutNonOverlapping() : obsolete
+ - isOutputReportMax() : obsolete
+ + outOverlap + validator : overlap encoding
+ + getOutputConstraint() : central data structure for output constraints´
+ - regexRangeEncoding : obsolete due to IndexRangeList::regex
+ * parseRegion() : now uses IndexRangeList string constructor and shift() for
+ initialization
+ * general :
+ + E_precisionEpsilon : variable holding the precision epsilon value for
+ energy equivalence comparisons
+ * SeedConstraint :
+ + range1 + getter : ranges for seed search in seq1
+ + range2 + getter : ranges for seed search in seq2
+
+161213 Martin Mann :
+ * PredictorMfe2d :
+ * initHybridE :
+ * code optimizations to reduce lookups
+ * Predictor* :
+ + initOptima()
+ + updateOptima()
+ + reportOptima()
+ = generic optima handling
+ - *Mfe() : replaced by *Optima()
+ - *MaxPro() : replaced by *Optima()
+ * IndexRangeList :
+ + overlaps( range r ) : whether or not one of the ranges overlaps with r
+ + tests
+ * Predictor* :
+ * reportOptima( parameters )
+ * PredictorMfe :
+ + reportedInteractions : index range lists to enable non-overlapping
+ interaction reporting
+ + getNextBest() : abstract interface to access the next best non-overlapping
+ interaction (based on reportedInteractions)
+ -> implemented by all subclasses
+ * reportOptima() : now screens for non-overlapping suboptimal interactions
+ using getNextBest()
+
+161212 Martin Mann :
+ * InteractionEnergy* :
+ + getES*() : ensemble energy of intramolecular substructures within a given
+ sequence interval under the assumption that the region is part of an
+ intermolecular multiloop, i.e. contains at least one intramolecular bp
+ NOTE: not implemented yet, only functions set up
+ * CommandLineParsing :
+ + oNumber + validator : max number of subopts to report
+ + oNonOverlapping : whether or not overlapping interactions to report
+ + opts_output : new output param category
+ + getOutputNumber()
+ + isOutputNonOverlapping()
+ * intaRNA :
+ + predict() calls now with getOutputNumber() and isOutputNonOverlapping()
+ * Interaction :
+ + compareEnergy() : checks whether a given interaction has energy higher
+ than a given value
+ * operator << (BasePair) now externally defined
+ * Predictor* :
+ * predict( + reportMax, + reportNonOverlapping ) : for multi-interaction out
+ * PredictorMfe :
+ * initMfe( + reportMax, + reportNonOverlapping ) : for multiple
+ overlapping interaction reporting
+ - mfeInteraction : replaced by list of interactions
+ + InteractionList : type of double-linked list of interactions
+ + mfeInteractions : list of (overlapping) lowest energy interactions
+ + traceBack() : now part of abstract interface to be used in reportMfe()
+ + reportMfe() : for all interactions from list with E<0: calls traceBack()
+ and adds to output handler
+ * updateMfe() :
+ + lowest energy interaction list update
+ + exclusion of duplicated list insertions (e.g. due to matrix recomputation)
+
+161207 Martin Mann :
+ * Interaction :
+ - addInteraction() : obsolete
+ + seedRange : optional seed information
+ + setSeedRange() : initializes or overwrites seedRange
+ * PredictorMfe2dSeed :
+ * PredictorMfe2dHeuristicSeed :
+ * traceBack() :
+ + storing seed interaction information
+ * OutputHandlerText :
+ * add() :
+ + seed information printed (if available)
+ + interaction position printed
+ + energy unit added
+
+161120 Martin Mann :
+ * autotools-init.sh :
+ * sh -> bash
+ + pipefail : script fails on first failed command
+ * CommandLineParsing :
+ + new predictors registered
+ * default predictor : heuristic
+ + time/space infor for each predictor
+ * bugfix: accessibility length/window check now after individual checks
+ * Interaction :
+ + ostream operator for Interaction::BasePair
+ * ostream operator uses BasePair operator to reduce redundancy
+ + SeedHandler : central handler for seed interaction and access for a given
+ SeedConstraint
+ + fillSeed() : computes the seed information
+ + traceBackSeed() : traces a specific seed start
+ + getSeedE() : the seed energy for a seed start (or INF if no seed possible)
+ + getSeedLength*() : the seed length for a seed start (or 0 if not possible)
+ * PredictorMfe :
+ * updateMfe() :
+ - dangling end based pre-check removed (not sure if valid)
+ * PredictorMfe2d :
+ * interface documentation corrected
+ * PredictorMfe2dSeed :
+ - seed calculation methods and data structure (move to SeedHandler)
+ + seedHandler (generated in constructor)
+ * fillHybridE_seed() :
+ * bugfix : init of all cells was not ensured
+ * sanity checks now include lower i boundary
+ * PredictorMfe4d : prediction info adapted
+ + PredictorMfe2dHeuristic : heuristic mfe prediction in n^2 time and space
+ + PredictorMfe2dHeuristicSeed : heuristic mfe prediction in n^2 time and space
+ including seed constraint
+
+161023 Martin Mann :
+ * AccessibilityConstraint :
+ - isBlocked() : renamed to isMarkedBlocked()
+ * isAccessible() : now : whether or not a position is available for
+ interaction
+ + isMarkedAccessible() : former isAccessible()
+ + isMarkedBlocked() : former isBlocked()
+ * AccessibilityDisabled :
+ * getED() : checks now for constraint.isAccessible()
+ * InteractionEnergy :
+ + getBasePair() : generates an Interaction BasePair for given indices
+ + getIndex*() : generates the computation indices for a given base pair
+ + getED*() : fast access to ED of a sequence
+ + isAccessible*() : checks for accessibility and non-ambiguity
+ + size*() : sequence length
+ * isValidInteraction() : now protected
+ * isAllowedLoopRegion() : now protected
+ + InteractionEnergyIdxOffset : wrapper for an InteractionEnergy that handles
+ index shifts due to a given offset. To this end, all according functions are
+ overwritten, which eases formulations of Predictors.
+ * Predictor :
+ * energy : now InteractionEnergyIdxOffset object
+ * PredictorXXX :
+ - i*offset : obsolete due to energy class change
+ * all offsets are now obsolete with extended InteractionEnergy interface and
+ InteractionEnergyIdxOffset energy access : this simplifies the formulation
+ of the algorithms and makes debugging easier.
+ - test/InteractionEnergy_test.cpp : obsolete
+
+161020 Martin Mann :
+ * configure.ac :
+ + boost_regex lib registered
+ * CommandLineParsing :
+ + argument qRegion : query interaction regions (sorted, non-overlapping)
+ + argument tRegion : target interaction regions
+ + getter and validator
+ + regexRangeEncoding : regex to validate range string encodings
+ + parseRegion() : parses region argument
+ * IndexRange :
+ * constructor() :
+ * default to = RnaSequence::lastPos
+ * IndexRangeList :
+ * push_back() : ascending check corrected
+ * intaRNA :
+ + predicts only for all index range combinations
+ * ReverseAccessibility :
+ + getReversedIndexRange() : reverses an index range
+ * PredictorMfe2dSeed :
+ * bugfix : rotating seedE_rec usage not possible; reset to full 5D array
+ * bugfix : index offset added
+
+161019 Martin Mann :
+ + m4/m4_ax_cxx_compile_stdcxx.m4 : enables c11 compiler support check
+ * configure.ac :
+ + ensures c11 compiler compliance via m4_ax_cxx_compile_stdcxx.m4
+ * defining "_DEBUG" instead of "DEBUG" in debug mode
+ - enable-c11 flag removed since obsolete (c11 now mandatory)
+ * .travis : adaption to configure changes
+ + easylogging++.h : v9.83 of header-only logging lib (MIT license)
+ * general.h :
+ + includes config.h for configure-based flags
+ + IN_DEBUG_MODE : compiler flag to mark debug mode
+ + includes easylogging++.h : global logging support
+ + easylogging++ log file setup (disabled)
+ * AccessibilityConstraint :
+ + isUnconstrained() : checks whether or not a position is unconstrained
+ * isBlocked() :
+ * isAccessible() :
+ + quick check for empty list
+ * AccessibilityVrna :
+ - log stream : obsolete
+ * construction :
+ + base pair span forwarded to fill* functions
+ * fillRNAup() also used if sliding window size == 0 (since fastest)
+ * fill*() :
+ + timing added (debug mode only)
+ + verbose log of computation mode
+ * fillByConstraints() :
+ * getPfScale() :
+ * fillByRNAup() :
+ + uses now base pair span
+ * CommandLineParsing :
+ - logStream : obsolete (global logging)
+ + seedMaxE argument : maximal overall energy of a seed interaction
+ + validate_seedMaxE()
+ + seedConstraint : central seed constraint object for all predictors
+ * getSeedConstraint() : returns constant reference to central object
+ * InteractionEnergy :
+ - getInterLoop() : replaced by getInterLeft()
+ + getInterLeft() : left side loop extension (former getInterLoop())
+ + getPr_danglingLeft() : probability of dangling ends on the left side
+ + getPr_danglingRight() : probability of dangling ends on the right side
+ * getE() :
+ * getE_contributions() :
+ * using getPr_dangling*() for dangling end energy computation
+ * Predictor* :
+ * predict() :
+ + verbose log for prediction mode
+ + performance logging in debug mode
+ * PredictorMfe2dSeed :
+ * fillSeed() :
+ + over energy computation for seed now includes getE_init()
+ * seed max energy boundary now via SeedConstraint.getMaxE()
+ * traceBackSeed() :
+ * bugfix : j2 initialization
+ * SeedConstraint :
+ + maxE + getter : maximal overall energy a seed is allowed to have
+
+161017 Martin Mann :
+ * CommandLineParsing :
+ - seedMinBP : renamed to seedBP
+ - getSeedMinBp : obsolete
+ + noSeedRequired : whether or not to enforce seed constraint for interactions
+ + seedBP : number of base pairs within seed
+ + seedMaxUP : maximal overall number of unpaired bases in seed
+ + seedMaxUPq : maximal number of unpaired bases within query's seed
+ + seedMaxUPt : maximal number of unpaired bases within target's seed
+ + validator_*() for arguments
+ + getSeedConstraint() : provides the seed according to the arguments
+ * parse() :
+ + noSeedRequired setup
+ * getPredictor() : predictor type depends now on noSeedRequired member setup
+ * general.h :
+ + E_isNotINF() : check for energy != E_INF
+ + E_isINF() : check for energy == E_INF
+ * InteractionEnergy :
+ * getE() :
+ + overall energy only computed if hybridE != E_INF
+ * OutputHandlerText :
+ * add() :
+ + output text for empty interaction
+ * PredictorMaxProb :
+ * fillHybridZ() : bugfix of boundary checks
+ * updateMaxProbInteraction() : bugfix : offset missing
+ * PredictorMfe :
+ * updateMfe() :
+ * feasibility check extended with dangling end energies (can be < 0)
+ * bugfix : offset missing
+ * PredictorMfe2d/4d :
+ * checks via E_isINF and E_isNotINF
+ + PredictorMfe2dSeed : predicts interactions that fulfill the seed constraint
+ + SeedConstraint : defines a seed constraint
+ + bp : number of base pairs
+ + maxUnpairedOverall : maximal overall number of unpaired bases
+ + maxUnpaired1 : maximal number of unpaired bases in first sequence
+ + maxUnpaired2 : maximal number of unpaired bases in second sequence
+ + getMaxLength*() : provides maximal length of a seed given the constraints
+ + ostream operator
+
+161012 Martin Mann :
+ * CommandLineParsing :
+ + parseSequencesFasta() : read FASTA format from input stream
+ * validate_sequenceArgument() :
+ + stream/file support enabled
+ * parseSequence() :
+ + stream/file support enabled
+ * intaRNA :
+ * bugfix: queryAcc cleanup in inner loop
+
+161012 Martin Mann :
+ * AccessibilityVrna :
+ * getPf* :
+ + local vrna_md_t model for according window sizes
+ * CommandLineParsing :
+ * getOutputHandler() : + energy handler as argument
+ + energyFile : file name of the VRNA energy parameter file to be used
+ + validate_energyFile()
+ + validateFile() : generic file existence and readability check
+ + updateParsingCode() : central utility function for parsing code updates
+ * parse() :
+ + update of vrnaHandler after parsing
+ + energFile handling
+ + updateParsingCode() usage
+ * validate_sequenceArgument()
+ + validateFile() usage
+ * general.h
+ + E_equal() : checks for (semi)equality for floating point variables
+ * intaRNA : adaptions to interface changes
+ * InteractionEnergy :
+ + EnergyContributions : individual energy contributions for an interaction
+ + getE_contributions() : provides an EnergyContributions container for a
+ given interaction
+ + getE_init() : the duplex initiation energy
+ + getE_interLoop() : former getInterLoopE()
+ + getE_danglingLeft() : former getDanglingLeft()
+ + getE_danglingRight() : former getDanglingRight()
+ + getE_endLeft() : former getEndLeft()
+ + getE_endRight() : former getEndRight()
+ + getBestE_interLoop() : former getBestStackingEnergy()
+ + getBestE_dangling() : former getBestDangleEnergy()
+ + getBestE_end() : former getBestEndEnergy()
+ - getInterLoopE() : renamed
+ - getDangling*() : renamed
+ - getEnd*() : renamed
+ - getBest*Energy() : renamed
+ - getBestInitEnergy() : obsolete
+ * isValidInternalLoop() :
+ + returns false on (i1==j1 || i2==j2)
+ * InteractionEnergyBasePair :
+ * adaptions to interface changes
+ + getE_init() : returns -1.0
+ * getE_interLoop() : returns only interior loop energies (no init)
+ * InteractionEnergyVrna :
+ * adaptions to interface changes
+ * getE_interLoop() : returns only interior loop energies (no init)
+ * getE_dangling*() : substracts end energies to get dangling end
+ contributions only (combined value from the VRNA interface)
+ * OutputHandlerText :
+ + energy : used energy handler for interaction computation
+ * construction() : + energy argument
+ * add() :
+ + provide energy contribution details
+ * PredictorMaxProb :
+ * fillHybridZ() :
+ + explicit energy.getE_init() handling
+ * PredictorMfe :
+ * adaption to interface changes
+ * PredictorMfe2d/4d :
+ * fillHybridE() :
+ + explicit energy.getE_init() handling
+ * traceback() :
+ * bugfix: i2/j2 index computation for offset > 0
+ + explicit energy.getE_init() handling
+ * VrnaHandler :
+ * constructor() :
+ + vrnaParamFile argument : for loading non-default energy parameters
+ - max_bp_span : now in getModel()
+ - window_size : now in getModel()
+ * default for max_bp_span/window_size = -1
+ * getModel() :
+ * now creates a new model object per call to enable different parameters
+ e.g. for different accessibility computations
+ + max_bp_span argument
+ + window_size argument
+ * test/InteractionEnergyBasePair : adaption to interface changes
+
+161007 Martin Mann :
+ + PredictorMfe : generic interface for mfe predictors to reduce code redundancy
+ + mfeInteraction
+ + i1offset
+ + i2offset
+ + initMfe()
+ + updateMfe()
+ + min..E() : minimal energy contributions to avoid recomputation
+ * PredictorMfe4d
+ * now PredictorMfe subclass
+ - PredictorMfe members
+ * using energy.areComplementary()
+ * bugfix : single interaction energy was doubled
+ * bugfix : ED-based cell computation skipping was check reversed
+ * fillHybridE() :
+ - energy argument was obsolete
+ + PredictorMfe2d : space efficient mfe predictor using 2D matrices only
+ + predict() : computes best interaction screening all possible right
+ interaction ends
+ + initHybridE() : initializes the cells used for current right interaction
+ ends
+ * bugfix : ED-based cell computation skipping was check reversed
+ + fillHybridE() : computes all possible interactions for current right
+ interaction ends and reports them to updateMfe()
+ + traceBack() : recomputes interactions for the right side of the current
+ interaction site and traces the details of the interaction of interest
+ * PredictorMaxProb :
+ * bugfix : single interaction energy was doubled
+ * InteractionEnergy :
+ + areComplementary() : checks two positions if complementary
+ * CommandLineParsing :
+ + predMode argument (mode,m)
+ + validate_predMode() : checks the argument value
+ * getPredictor() : returns predictor by argument setup
+
+161006 Martin Mann :
+ - PredictorMfeRNAup : renamed to PredictorMfe4d
+ + PredictorMfe4d : former PredictorMfeRNAup
+ * overall energies computed in updateMfeInteraction()
+ * InteractionEnergy :
+ + getE() : computes the overall energy for a given interaction site and
+ hybridization energy
+ E = hybridE + ED1 + ED2
+ + dangleLeftE*prob(leftFree) + dangleRightE*prob(rightFree)
+ + closeLeftE + closeRightE
+ + getBoltzmannWeight() : the Boltzmann weight for a given energy
+ * InteractionEnergy* :
+ + getEndLeft/Right() : the penalty for ending the interaction
+ + getBestEndEnergy() : best energy penalty for interaction ends
+ * InteractionEnergyVrna :
+ + bpGC/CG : base pair type encoding for GC/CG base pair
+ + isGC() : tests whether two positions resemble a GC/CG base pair
+ * PredictorMaxProb :
+ - getBoltzmannWeight() : now part of InteractionEnergy
+ * overall energies/weights computed in updateMaxProbInteraction()
+
+161005 Martin Mann :
+ * Predictor :
+ + getMaxInteractionWidth() : upper width bound for an interacting site
+ * PredictorMaxProb :
+ * PredictorMfeRNAup :
+ * matrix initialization of end regions reduced to the accessible window
+ widths using getMaxInteractionWidth()
+ * adaption of recursion to varying matrix sizes
+ + test/Interaction
+ * test/Makefile.am : clear binary before each test run (ensures relinking)
+ * Interaction :
+ * isValid() : bugfix : wrong return for single bp interaction
+
+161005 Martin Mann :
+ * Accessibility* :
+ - AccessibilityConstraintAlphabet : now part of AccessibilityConstraint
+ * ED_UPPER_BOUND = E_INF
+ * uses now AccessibilityConstraint object instead of dot-bracket string
+ + AccessibilityConstraint : encodes an accessibility constraint based
+ + init via dot-bracket VRNA-like encoding
+ + getVrnaDotBracket() : get according VRNA-styled dot-bracket encoding
+ + isAccessible() : check for explicit "accessible" marking
+ + isBlocked() : check for explicit "blocked" marking
+ + isEmpty() : check if any constraint information present
+ * CommandLineParsing :
+ * getTargetAccessibility() : creation of AccessibilityConstraint object
+ * getQueryAccessibility() : creation of AccessibilityConstraint object
+ + IndexRange : represents an ascending or descending range of (sequence) indices
+ + isAscending() : check if ascending range encoding
+ + isDescending() : check if descending range encoding
+ + ostream operator
+ + less-than operator
+ * Interaction :
+ + construction from InteractionRange
+ * sequence handling via pointers to enable assignment operator
+ * basePairs : public
+ - getBasePairs() : obsolete for public member
+ * energy : public
+ - get/setEnergy() : obsolete for public member
+ + isEmpty() : check if any base pairs present
+ + assignment operator (InteractionRange)
+ * InteractionEnergy* :
+ + getBestStackingEnergy() : access to the best stacking energy contribution
+ + getBestInitEnergy() : access to the best initiation energy contribution
+ + getBestDangleEnergy() : access to the best dangling end energy contribution
+ + InteractionRange : represents two interacting ranges of two sequences based
+ on two according IndexRange objects
+ + construction from Interaction (boundaries)
+ + isSane() : checks ordering of index ranges
+ + ostream operator
+ + less-than operator
+ + assignment operator (Interaction)
+ * src/Makefile.am : adaption to source changes
+ * OutputHandler* :
+ + add(InteractionRange)
+ + OutputHandlerRangeOnly : converts reported Interactions into an
+ InteractionRange and forwards the output to a successive OutputHandler
+ * OutputHandlerText :
+ * adaption to Interaction interface changes
+ * Predictor* :
+ * predict(IndexRange,IndexRange) : takes to ranges instead of 4 coordinates
+ * PredictorMaxProb :
+ * maxProbInteraction : now an InteractionRange
+ * PredictorMfeRNAup :
+ + getE() : computes the overall energy for a given interaction site
+ * updateMfe() : takes only the overall energy instead of individual contribs
+ * ReverseAccessibility :
+ * adaption to AccessibilityConstraint usage
+ * RnaSequence :
+ + isAmbiguous() : checks a certain sequence position for ambiguity
+ + test/AccessibilityConstraint
+ + test/IndexRange
+ + test/InteractionRange
+ + test/OutputRangeOnly
+
+161004 Martin Mann :
+ * general :
+ - E_MAX : replaced by E_INF
+ + E_INF : infinity representation for E_type
+
+161001 Martin Mann :
+ - tests/test* : renamed to *_test
+ + tests/*_test.cpp : test files for the according classes
+ * tests/Makefile :
+ + wildcard based test file listing
+ * travis :
+ + make test added
+ * configure.ac : back to automake 1.11 features
+ * */Makefile.am : test target adapted to configure change
+
+160930 Martin Mann :
+ * InteractionEnergy* :
+ + getRT() : provides the RT constant for this energy model to compute
+ Boltzmann weights
+ + PredictorMaxProb : computes the interaction site with maximal probability
+ and reports the according boundaries and the site's ensemble energy to the
+ output handler
+160930 Martin Mann :
+ * PredictorMfeRNAup :
+ * mfeInteraction base pairs now updated instead of recreation (reduced memory
+ allocation events)
+ - PredictorRNAup.* : renamed to PredictorMfeRNAup.*
+ + PredictorMfeRNAup.* : rename to be class name conform
+ * Makefile.am : adaption to file rename
+ * intaRNA :
+ + call CommandLineParsing.getPredictor() to get predictor
+ * CommandLineParsing :
+ + getPredictor() : generates the predictor according to the user request
+160930 Martin Mann :
+ * InteractionEnergyVrna :
+ * getDangling*() : bugfix : dangling sequence code was not given
+ * ReverseAccessibility :
+ + getReversedIndex() : get index in reversed sequence
+ * Interaction :
+ + energy + get/set() : optional energy value for the interaction (init NaN)
+ * Predictor :
+ * output non-const
+ * constructor :
+ * output non-const (otherwise no filling possible)
+ + predict() : triggers prediction
+ - PredictorRNAup : renamed PredictorMfeRNAup
+ + PredictorMfeRNAup :
+ + mfeInteraction : holds the mfe interaction
+ - hybridEmin : now part of mfeInteraction
+ + initMfe() : initializes mfe and mfe interaction
+ + updateMfe() : updated mfe and mfe interaction
+ * fillHybridE() :
+ * global temp variables to reduce allocation effort
+ + dangling end contribution added
+ * constructor() : only initializes data structures, no computation triggered
+ + predict() : does the computation and output reporting
+ + clear() : clears temporary data structures
+ * destructor() : calls now only clear()
+ + i1offset : the offset for the first sequence for index handling
+ + i2offset : the offset for the second sequence for index handling
+ * OutputHandlerText :
+ + add() :
+ + prints interaction energy
+ * RnaSequence
+ + last : placeholder to represent the last position within a sequence
+ * intaRNA :
+ * calls predictor->predict()
+ * AccessibilityVrna :
+ * calc_ensemble_free_energy()
+ * input check preprocessor defines corrected
+
+160929 Martin Mann :
+ * CommandLineParsing :
+ + ReturnCode : enum for different return codes for parsing
+ - parsingResultNotSet : obsolete (covered by ReturnCode)
+ * adaption to ReturnCode usage
+ * intaRNA :
+ * adaption to ReturnCode
+ + PredictorRNAup temporarily hard-coded
+ + unit tests added using Catch header library
+ * configure.ac :
+ + generate tests/Makefile
+ + AM_EXTRA_RECURSIVE_TARGETS([tests]) : recursive "tests" make target
+ * AM_INIT_AUTOMAKE([1.13]) : need v1.13 for AM_EXTRA_RECURSIVE_TARGETS
+ * Makefile.am :
+ + go to subdir 'tests' for 'tests' make directive only
+ + tests/Makefile.am : compile and run tests
+ + catch.hpp : Catch library version 1.5.7
+ + tests/runTests.cpp : central test program
+ + tests/testInteractionEnergy.cpp
+ + tests/testInteractionEnergyBasePair.cpp
+ + tests/testRnaSequence.cpp
+ * RnaSequence :
+ + areComplementary() : tests for base pair complementarity
+ * constructor : input checks in debug mode
+ * Accessibility + subclasses :
+ * constructor : accConstraint now pointer to enable NULL argument
+ * CommandLineParsing :
+ * argument docu extended
+ * adaption to Accessibility interface change
+ + energy argument added
+ + validate_energy()
+ * InteractionEnergy :
+ * energy getters now const
+ * isAllowedLoopRegion()
+ * now public
+ * bugfix of maxInternalLoppSize check
+ + getMaxInternalLoopSize*() to access individual max internal loop size
+ + isValidInternalLoop() : checks an internal loop request
+ * InteractionEnergyVrna :
+ * energy getters : bugfix normalization dcal to kcal
+ * interface adaption
+ * getInterLoopE() :
+ * getDanglingLeft() :
+ * getDanglingRight() :
+ * bugfix of sequence access
+ * InteractionEnergyBasePair :
+ * interface adaption
+ * PredictorRNAup :
+ * E2dMatrix : now quadratic matrix for interaction widths w1,w2
+ * E4dMatrix : now quadratic matrix for interaction starts i1,i2
+ + hybridEmin : global minimal energy value computed
+ * (de/con)structor : matrix deletion/initialization adapted
+ * fillHybridE() :
+ + two round computation: first hybridizations only, than ED values added
+
+160928 Martin Mann :
+ * AccessibilityVrna :
+ + fillByConstraints() : intarna-1 way of computing ED values
+ + fillByRNAup() : RNAup-like ED value computation
+ + fillByRNAplfold() : RNAplfold-like ED value computation
+ * remaining interface adapted to local computation and data structures
+ * using boost::banded_matrix for ED storage
+ * constructor() :
+ + ED setup depends on whether or not structure constraint present
+ * getPfScale() : bugfix : now use global accessibility constraint for
+ mfe/ensemble energy computation
+ * Accessibility member access now via getter
+ * adaption to possibly empty accConstraint
+ * Accessibility :
+ * constructor() : accConstraint now empty if not provided to reduce memory
+ * checkIndices() : checks only in DEBUG mode enabled
+ * CommandLineParsing :
+ * cleanup
+ * intaRNA :
+ * adaption to parse return value change
+ * InteractionEnergyVrna :
+ * destructor : bugfix : has to use 'free' for VRNA cleanup
+ * VrnaHandler :
+ + getRT() : computes the RT constant for the current temperature
+ * configure.ac :
+ * VRNA check extended
+ + PredictorRNAup : RNAup-like interaction prediction
+ * Makefile.am : adaption to source file changes
+ * configure.ac :
+ + additional check for "-std=c++11" support of the compiler
+ * InteractioNEnergy :
+ + getAccessibility* : access to full accessibility objects
+ - getLength* : obsolete
+
+160927 Martin Mann :
+ + AccessibilityVrna : vrna-based accessibility computation
+ (former AccessibilityVienna)
+ + InteractionEnergy : former Energy
+ + InteractionEnergyBasePair : former EnergyBasePair
+ + InteractionEnergyVrna : former EnergyVienna
+ - AccessibilityVienna : renamed
+ - Energy : renamed
+ - EnergyBasePair : renamed
+ - EnergyVienna : renamed
+ * Accessibility :
+ + ostream operator : prints ED values
+ * AccessibilityVrna :
+ - modelDetails : obsolete
+ * RnaSequence :
+ + ostream operator : prints "ID(Sequence)"
+ + VrnaHandler : central handler for VRNA folding parameter setup
+ * model generation now done in constructor
+ * model access non-const due to VRNA interface ("features" on the fly
+ initialization of model if not initialized yet, thus non-const)
+ * CommandLineParsing :
+ + vrnaHandler
+ + getTemperature() : getter for user defined temperature
+ * adaption to renames
+
+
+160923 Martin Mann :
+ * .travis :
+ * sudo: true (was false)
+
+160922 Martin Mann :
+############### MOVE FROM CVS TO GIT INTARNA REPO ############################
+ * README :
+ + compilation information
+ + refers to README.md
+ + README.md (by Björn Grüning)
+ * COPYING : refers to LICENSE
+ + LICENSE : now MIT license for intarna 2.*
+ * configure.ac : replaced by new version for intarna 2.*
+ .travis.yml : updated to Vienna 2.2.10 usage
+ + m4/m4_ax_boost_base.m4 : boost m4 checks for configure.ac usage
+ + autotools-init.sh : calls autotools to generate system specific files
+ ==> NOTE : CALL AFTER CHECKOUT <==
+ - depcomp : temporary autotools file generated by 'bash autotools-init.sh'
+ - install-sh : temporary autotools file generated by 'bash autotools-init.sh'
+ - configure : temporary autotools file generated by 'bash autotools-init.sh'
+ - missing : temporary autotools file generated by 'bash autotools-init.sh'
+ - Makefile.in : temporary autotools file generated by 'bash autotools-init.sh'
+ - aclocal.m4 : temporary autotools file generated by 'bash autotools-init.sh'
+ - src/*.h : old source removed
+ - src/*.c* : old source removed
+ - src/data/ : old energy data removed
+ + src/*.h : new source data for version 2.*
+ + src/*.cpp : new source data for version 2.*
+ * src/Makefile.am : updated for new source files
+
+160921 Martin Mann :
+ * RnaSequence.h : documentation corrected
+ * CommandLineParsing :
+ + validateSequenceAlphabet() : checks
+ + sequence alphabet check
+ + ambiguity check for warning
+ * parseSequences() :
+ + validateSequenceAlphabet() call
+
+150616 Martin Mann
+ * CommandLineParsing :
+ * parse()
+ + check for minimal sequence length (>= seedMinBP)
+
+140719 Martin Mann
+ * EnergyBasePair :
+ * getInterLoopE() : BUGFIX : was returning loop energy instead of negated
+ base pair number only
+
+140716 Martin Mann
+ + OutputHandlerText : prints reported interaction in a simple text format to
+ stream similar to IntaRNA 1.* output
+
+140714 Martin Mann
+ * general :
+ + CHECKNOTNULL macro to throw an exception with message if a given pointer is
+ not initialized
+ + Predictor : general interaction prediction interface
+ + Interaction : interaction information container to be filled by predictors
+ and to be handled by output handlers
+ + OutputHandler : general interaction reporting handler interface
+
+140703 Martin Mann
+ * Accessibility* :
+ + global accessibility constraint support (some sequence positions have to be
+ unstructured both in structure ensemble and interaction and are thus
+ omitted from interaction prediction via ED_UPPER_BOUND accessibility
+ values)
+ * CommandLineParsing :
+ + *AccConst : parameter + checks for accessibility constraints
+ + validateSequenceNumber() : sequence number check (for depending parameters)
+
+140701 Martin Mann
+ * intaRNA :
+ + general computation setup started
+ * general :
+ + CLEANUP : macro to delete a pointer and to set it to NULL
+ * CommandLineParsing :
+ + CharParameter : ensures a char parameter is from a given alphabet
+ + validate_charArgument() : generic check function
+ + validate_numberArgument() : generic check function
+ + several parameters including check functions, defaults, etc.
+ + get*Accessibility() : generates an Accessibility object according to the
+ user parameters
+ + getEnergyHandler() : generates an Energy object according to the parameters
+ * ReverseAccessibility :
+ + access to original sequence and accessibility object
+ * RnaSequence :
+ + ambiguity check
+
+140630 Martin Mann
+ + ReverseAccessibility : reversed index access to a sequence and its
+ accessibility (ED) values as needed for the energy computation
+ * AccessibilityVienna :
+ * Vienna RNA package calls corrected
+ + partFoldParams : central partition function folding parameter object
+ + Energy : abstract interface to compute energy contributions
+ + getDangling*() : dangling end penalties
+ + EnergyBasePair : energy computation in terms of number of base pairs
+ + EnergyVienna : energy computation via Vienna RNA package
+
+140627 Martin Mann
+ * Accessibility* :
+ + maxLength : maximal length of accessible regions to consider, defaults to
+ the sequence's length
+ + E_type : global type for energy variables/values
+ + T_type : global type for temperature variables/values
+ + E_MAX : constant : maximal value for energies
+
+140625 Martin Mann
+ * configure :
+ + Vienna RNA package v2.* path support and checks
+ + Accessibility : abstract interface to get accessibility energies for regions
+ + AccessibilityNone : Accessibility implementation that always returns zero
+ + AccessibilityVienna : Accessibility implementation that computes _all_ ED
+ values based on ensemble energies computed via the Vienna RNA package
+ * RnaSequence :
+ + as* : access functions for different sequence encodings
+
+140624 Martin Mann
+ + general.h :
+ + macro to stop at unimplemented source code locations via std::runtime_error
+ + RnaSequence : class that represents an RNA sequence with according
+ functionality
+ + integer encoding
+ + string validation
+ * CommandLineParser :
+ + query and target :
+ + support for direct sequence input
+ + preparation for stream/file parsing
+
+140618 Martin Mann
+ + cygwin boost installation using
+ ./b2 --prefix=/cygdrive/c/Research/Software/boost/1.55.0 --layout=tagged
+ --without-python --without-mpi --without-context threading=single
+ link=static variant=release install
+ + src/CommandLineParsing : class that handles command line argument parsing
+ and checking via boost::program_options
+ NOTE: under cygwin a boost build from source is needed to get the libraries
+ correctly compiled and linkable (boost lib from cygwin repos is not
+ working)
+
+140617 Martin Mann
+ + autoconf setup
+
+140617 ******** start reimplementation of IntaRNA in CVS ******************
+
+
+#############################################################################
+
2011-06-10 Andreas Richter version 1.2.5
* fixed bug in string clearing when option -v is used and no
significant interactions are found
diff --git a/LICENSE b/LICENSE
index 94a9ed02..255a1763 100644
--- a/LICENSE
+++ b/LICENSE
@@ -1,674 +1,23 @@
- GNU GENERAL PUBLIC LICENSE
- Version 3, 29 June 2007
+The MIT License (MIT)
- Copyright (C) 2007 Free Software Foundation, Inc.
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+Copyright (c) 2016 Bioinformatics Group of Prof. Backofen,
+Institute for Computer Science, University Freiburg, Freiburg, Germany
- Preamble
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-patent license under the contributor's essential patent claims, to
-make, use, sell, offer for sale, import and otherwise run, modify and
-propagate the contents of its contributor version.
-
- In the following three paragraphs, a "patent license" is any express
-agreement or commitment, however denominated, not to enforce a patent
-(such as an express permission to practice a patent or covenant not to
-sue for patent infringement). To "grant" such a patent license to a
-party means to make such an agreement or commitment not to enforce a
-patent against the party.
-
- If you convey a covered work, knowingly relying on a patent license,
-and the Corresponding Source of the work is not available for anyone
-to copy, free of charge and under the terms of this License, through a
-publicly available network server or other readily accessible means,
-then you must either (1) cause the Corresponding Source to be so
-available, or (2) arrange to deprive yourself of the benefit of the
-patent license for this particular work, or (3) arrange, in a manner
-consistent with the requirements of this License, to extend the patent
-license to downstream recipients. "Knowingly relying" means you have
-actual knowledge that, but for the patent license, your conveying the
-covered work in a country, or your recipient's use of the covered work
-in a country, would infringe one or more identifiable patents in that
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-arrangement, you convey, or propagate by procuring conveyance of, a
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-receiving the covered work authorizing them to use, propagate, modify
-or convey a specific copy of the covered work, then the patent license
-you grant is automatically extended to all recipients of the covered
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- A patent license is "discriminatory" if it does not include within
-the scope of its coverage, prohibits the exercise of, or is
-conditioned on the non-exercise of one or more of the rights that are
-specifically granted under this License. You may not convey a covered
-work if you are a party to an arrangement with a third party that is
-in the business of distributing software, under which you make payment
-to the third party based on the extent of your activity of conveying
-the work, and under which the third party grants, to any of the
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-conveyed by you (or copies made from those copies), or (b) primarily
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-contain the covered work, unless you entered into that arrangement,
-or that patent license was granted, prior to 28 March 2007.
-
- Nothing in this License shall be construed as excluding or limiting
-any implied license or other defenses to infringement that may
-otherwise be available to you under applicable patent law.
-
- 12. No Surrender of Others' Freedom.
-
- If conditions are imposed on you (whether by court order, agreement or
-otherwise) that contradict the conditions of this License, they do not
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-not convey it at all. For example, if you agree to terms that obligate you
-to collect a royalty for further conveying from those to whom you convey
-the Program, the only way you could satisfy both those terms and this
-License would be to refrain entirely from conveying the Program.
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- 13. Use with the GNU Affero General Public License.
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- Notwithstanding any other provision of this License, you have
-permission to link or combine any covered work with a work licensed
-under version 3 of the GNU Affero General Public License into a single
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-but the special requirements of the GNU Affero General Public License,
-section 13, concerning interaction through a network will apply to the
-combination as such.
-
- 14. Revised Versions of this License.
-
- The Free Software Foundation may publish revised and/or new versions of
-the GNU General Public License from time to time. Such new versions will
-be similar in spirit to the present version, but may differ in detail to
-address new problems or concerns.
-
- Each version is given a distinguishing version number. If the
-Program specifies that a certain numbered version of the GNU General
-Public License "or any later version" applies to it, you have the
-option of following the terms and conditions either of that numbered
-version or of any later version published by the Free Software
-Foundation. If the Program does not specify a version number of the
-GNU General Public License, you may choose any version ever published
-by the Free Software Foundation.
-
- If the Program specifies that a proxy can decide which future
-versions of the GNU General Public License can be used, that proxy's
-public statement of acceptance of a version permanently authorizes you
-to choose that version for the Program.
-
- Later license versions may give you additional or different
-permissions. However, no additional obligations are imposed on any
-author or copyright holder as a result of your choosing to follow a
-later version.
-
- 15. Disclaimer of Warranty.
-
- THERE IS NO WARRANTY FOR THE PROGRAM, TO THE EXTENT PERMITTED BY
-APPLICABLE LAW. EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT
-HOLDERS AND/OR OTHER PARTIES PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY
-OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO,
-THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
-PURPOSE. THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM
-IS WITH YOU. SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF
-ALL NECESSARY SERVICING, REPAIR OR CORRECTION.
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- 16. Limitation of Liability.
-
- IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING
-WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MODIFIES AND/OR CONVEYS
-THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY
-GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE
-USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF
-DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD
-PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS),
-EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF
-SUCH DAMAGES.
-
- 17. Interpretation of Sections 15 and 16.
-
- If the disclaimer of warranty and limitation of liability provided
-above cannot be given local legal effect according to their terms,
-reviewing courts shall apply local law that most closely approximates
-an absolute waiver of all civil liability in connection with the
-Program, unless a warranty or assumption of liability accompanies a
-copy of the Program in return for a fee.
-
- END OF TERMS AND CONDITIONS
-
- How to Apply These Terms to Your New Programs
-
- If you develop a new program, and you want it to be of the greatest
-possible use to the public, the best way to achieve this is to make it
-free software which everyone can redistribute and change under these terms.
-
- To do so, attach the following notices to the program. It is safest
-to attach them to the start of each source file to most effectively
-state the exclusion of warranty; and each file should have at least
-the "copyright" line and a pointer to where the full notice is found.
-
-
- Copyright (C)
-
- This program is free software: you can redistribute it and/or modify
- it under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- This program is distributed in the hope that it will be useful,
- but WITHOUT ANY WARRANTY; without even the implied warranty of
- MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
- GNU General Public License for more details.
-
- You should have received a copy of the GNU General Public License
- along with this program. If not, see .
-
-Also add information on how to contact you by electronic and paper mail.
-
- If the program does terminal interaction, make it output a short
-notice like this when it starts in an interactive mode:
-
- Copyright (C)
- This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
- This is free software, and you are welcome to redistribute it
- under certain conditions; type `show c' for details.
-
-The hypothetical commands `show w' and `show c' should show the appropriate
-parts of the General Public License. Of course, your program's commands
-might be different; for a GUI interface, you would use an "about box".
-
- You should also get your employer (if you work as a programmer) or school,
-if any, to sign a "copyright disclaimer" for the program, if necessary.
-For more information on this, and how to apply and follow the GNU GPL, see
-.
-
- The GNU General Public License does not permit incorporating your program
-into proprietary programs. If your program is a subroutine library, you
-may consider it more useful to permit linking proprietary applications with
-the library. If this is what you want to do, use the GNU Lesser General
-Public License instead of this License. But first, please read
-.
diff --git a/Makefile.am b/Makefile.am
index 00d837d9..f9f46ce5 100644
--- a/Makefile.am
+++ b/Makefile.am
@@ -1,3 +1,14 @@
# sub directories to check for Makefiles
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+SUBDIRS = src perl tests .
+
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+ @echo
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+ @echo
+ @$(MAKE) check -s -C tests
+
+test: tests
+
diff --git a/Makefile.in b/Makefile.in
deleted file mode 100644
index 9c397fa3..00000000
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diff --git a/NEWS b/NEWS
index e69de29b..911dab30 100644
--- a/NEWS
+++ b/NEWS
@@ -0,0 +1,2 @@
+
+ see Changelog file
diff --git a/README b/README
index 8e1d7b72..eaf707f1 100644
--- a/README
+++ b/README
@@ -1,22 +1,12 @@
-IntaRNA uses the libRNA.a from the Vienna RNA Package. Thus before compiling
-IntaRNA, you have to configure and install the Vienna RNA Package. You can
-download it at:
-
-http://www.tbi.univie.ac.at/~ivo/RNA/
-
-If the Vienna RNA Package is not installed to a default directory you can
-add this information to the 'configure' script using the
-'--with-RNA=$VIENNA-PATH' flag.
-
-Run './configure --help' for more configuration details.
+######### IntaRNA ################################################
+
+To configure, compile and install do the following steps:
+ - run ./configure [--help for additional configuration options]
+ - run make
+ - run make install
-Call './IntaRNA -h' for a help page with all options offered by IntaRNA.
+In case you run into problems, please contact us!
-For bug reports or questions please write to
+Also refer to README.md file for further information.
- intarna(a)informatik.uni-freiburg.de
-
- or visit
-
- http://www.bioinf.uni-freiburg.de/Software/
diff --git a/README.md b/README.md
index 5394b554..a6ed5c1f 100644
--- a/README.md
+++ b/README.md
@@ -1,18 +1,696 @@
[](https://travis-ci.org/BackofenLab/IntaRNA)
-# IntaRNA
-Efficient target prediction incorporating accessibility of interaction sites
+# IntaRNA version 2.*
-**Motivation**: During the last few years, several new small regulatory RNAs (sRNAs) have been discovered in bacteria. Most of them act as post-transcriptional regulators by base pairing to a target mRNA, causing translational repression or activation, or mRNA degradation. Numerous sRNAs have already been identified, but the number of experimentally verified targets is considerably lower. Consequently, computational target prediction is in great demand. Many existing target prediction programs neglect the accessibility of target sites and the existence of a seed, while other approaches are either specialized to certain types of RNAs or too slow for genome-wide searches.
+**Efficient RNA-RNA interaction prediction incorporating accessibility and
+seeding of interaction sites**
+
+During the last few years, several new small regulatory RNAs
+(sRNAs) have been discovered in bacteria. Most of them act as post-transcriptional
+regulators by base pairing to a target mRNA, causing translational repression
+or activation, or mRNA degradation. Numerous sRNAs have already been identified,
+but the number of experimentally verified targets is considerably lower.
+Consequently, computational target prediction is in great demand. Many existing
+target prediction programs neglect the accessibility of target sites and the
+existence of a seed, while other approaches are either specialized to certain
+types of RNAs or too slow for genome-wide searches.
+
+IntaRNA, developed by
+[Prof. Backofen's bioinformatics group at Freiburg University](http://www.bioinf.uni-freiburg.de),
+is a general and fast approach to the
+prediction of RNA-RNA interactions incorporating both the accessibility of
+interacting sites
+as well as the existence of a user-definable seed interaction. We successfully applied
+IntaRNA to the prediction of bacterial sRNA targets and determined the exact
+locations of the interactions with a higher accuracy than competing programs.
+
+For testing or ad hoc use of IntaRNA, you can use its webinterface at the
+
+**==> [Freiburg RNA tools IntaRNA webserver](http://rna.informatik.uni-freiburg.de/IntaRNA/) <==**
-**Results:** We introduce INTARNA, a new general and fast approach to the prediction of RNA–RNA interactions incorporating accessibility of target sites as well as the existence of a user-definable seed. We successfully applied INTARNA to the prediction of bacterial sRNA targets and determined the exact locations of the interactions with a higher accuracy than competing programs.
## Contribution
-Feel free to contribute to this project by wirting [Issues](https://github.com/BackofenLab/IntaRNA/issues) with feature requests or bug reports.
+Feel free to contribute to this project by writing
+[Issues](https://github.com/BackofenLab/IntaRNA/issues)
+with feature requests, bug reports, or just contact messages.
+
+## Citation
+If you use IntaRNA, please cite our articles
+- [IntaRNA: efficient prediction of bacterial sRNA targets incorporating target site accessibility and seed regions](http://dx.doi.org/10.1093/bioinformatics/btn544)
+ Anke Busch, Andreas S. Richter, and Rolf Backofen,
+ Bioinformatics, 24 no. 24 pp. 2849-56, 2008, DOI(10.1093/bioinformatics/btn544).
+- [CopraRNA and IntaRNA: predicting small RNA targets, networks and interaction domains](http://dx.doi.org/10.1093/nar/gku359)
+ Patrick R. Wright, Jens Georg, Martin Mann, Dragos A. Sorescu, Andreas S. Richter, Steffen Lott, Robert Kleinkauf, Wolfgang R. Hess, and Rolf Backofen
+ Nucleic Acids Research, 42 (W1), W119-W123, 2014, DOI(10.1093/nar/gku359).
+
+
+
+
+
+# Documentation
+
+## Overview
+
+The following topics are covered by this documentation:
+
+- [Installation](#install)
+ - [Dependencies](#deps)
+ - [Cloning from github](#instgithub)
+ - [Source code distribution](#instsource)
+- [Usage and Parameters](#usage)
+ - [Just run ...](#defaultRun)
+ - [Prediction modes, their features and emulated tools](#predModes)
+ - [Interaction restrictions](#interConstr)
+ - [Seed constraints](#seed)
+ - [Output modes](#outmodes)
+ - [Suboptimal RNA-RNA interaction prediction and output restrictions](#subopts)
+ - [Energy parameters and temperature](#energy)
+ - [Accessibility and unpaired probabilities](#accessibility)
+ - [Local versus global unpaired probabilities](#accLocalGlobal)
+ - [Read/write accessibility from/to file or stream](#accFromFile)
+ - [Multi-threading and parallelized computation](#multithreading)
+
+
+
+
+
+# Installation
+
+
+
+## Dependencies
+
+- compiler supporting C++11 standard and OpenMP
+- GNU autotools (automake, autoconf, ..)
+- [boost C++ library](http://www.boost.org/) version >= 1.50.0
+- [Vienna RNA package](http://www.tbi.univie.ac.at/RNA/) version >= 2.3.0
+
+
+
+## Cloning from github (or downloading ZIP-file)
+
+The data provided within the github repository is no complete distribution and
+lacks all system specific generated files. Thus, in order to get started with
+a fresh clone of the IntaRNA repository you have to run the GNU autotools
+to generate all needed files for a proper `configure` and `make`. To this end,
+we provide a helper script that as shown in the following.
+```bash
+# call aclocal, automake, autoconf
+bash ./autotools-init.sh
+```
+Afterwards, you can continue as if you would have downloaded a
+[IntaRNA source code distribution](#instsource).
+
+
+
+## Source code distribution
+
+When downloading an IntaRNA source code distribution, e.g. from the
+[IntaRNA release page](https://github.com/BackofenLab/IntaRNA/releases), you should
+first ensure, that you have all [dependencies](#deps) installed. If so, you can
+simply run the following (assuming `bash` shell).
+```bash
+# generate system specific files (use -h for options)
+./configure
+# compile IntaRNA from source
+make
+# run tests to ensure all went fine
+make tests
+# install (use 'configure --prefix=XXX' to change default install directory)
+make install
+# (alternatively) install to directory XYZ
+make install prefix=XYZ
+```
+
+
+
+
+
+
+
+# Usage and parameters
+
+IntaRNA comes with a vast variety of ways to tune or enhance *YOUR* RNA-RNA prediction.
+To this end, different [prediction modes](#predModes) are implemented that allow
+to balance predication quality and runtime requirement. Furthermore, it is
+possible to define
+[interaction restrictions](#interConstr),
+[seed constraints](#seed),
+[output modes](#outmodes),
+[suboptimal enumeration](#subopts),
+[energy parameters, temperature](#energy),
+and the [accessibility](#accessibility) handling. If you are doing high-throughput
+computations, you might also want to consider [multi-threading support](#multithreading).
+
+
+
+
+
+## Just run ...
+
+If you just want to start and are fine with the default parameters set,
+you only have to provide two RNA sequences,
+a (long) target RNA (using `-t` or `--target`) and a (short) query RNA
+(via `-q` or `--query`), in
+[IUPAC RNA encoding](#https://en.wikipedia.org/wiki/Nucleic_acid_notation).
+You can either directly input the sequences
+```bash
+# running IntaRNA with direct sequence input
+# call : IntaRNA -t CCCCCCCCGGGGGGGGGGGGGG -q CCCCCCC
+
+target
+ 9 15
+ | |
+ 5'-CCCCCCCC GGGGGGG-3'
+ GGGGGGG
+ |||||||
+ CCCCCCC
+ 3'- -5'
+ | |
+ 7 1
+query
+
+interaction energy = -10.7116 kcal/mol
+
+```
+
+or provide (multiple) sequence(s) in [FASTA-format](#https://en.wikipedia.org/wiki/FASTA_format).
+It is possible to provide either file input or to read the FASTA input from the
+STDIN stream.
+
+```bash
+# running IntaRNA with FASTA files
+IntaRNA -t myTargets.fasta -q myQueries.fasta
+# reading query FASTA input from stream via pipe
+cat myQueries.fasta | IntaRNA -q STDIN -t myTargets.fasta
+```
+
+Nucleotide encodings different from `ACGUT` are rewritten as `N` and the respective
+positions are not considered to form base pairs (and this ignored).
+Thymine `T` encodings are replaced by uracil `U`, since a `ACGU`-only
+energy model is used.
+
+For a list of general program argument run `-h` or `--help`. For a complete
+list covering also more sophisticated options, run `--fullhelp`.
+
+
+
+
+
+
+
+## Prediction modes, their features and emulated tools
+
+For the prediction of *minimum free energy interactions*, the following modes
+and according features are supported and can be set via the `--mode` parameter.
+The tiem and space complexities are given for the prediction of two sequences
+of equal length *n*.
+
+| Features | Heuristic `--mode=H` | Exact-SE `--mode=S` | Exact `--mode=E` |
+| -------- | :------------------: | :-----------------: | :--------------: |
+| Time complexity (prediction only) | O(*n*^2) | O(*n*^4) | O(*n*^4) |
+| Space complexity | O(*n*^2) | O(*n*^2) | O(*n*^4) |
+| [Seed constraint](#seed) | x | x | x |
+| No [seed constraint](#seed) | x | x | x |
+| Minimum free energy interaction | not guaranteed | x | x |
+| Overlapping [suboptimal interactions](#subopts) | x | x | x |
+| Non-overlapping [suboptimal interactions](#subopts) | x | - | x |
+
+Note, due to the low run-time requirement of the heuristic prediction mode
+(`--mode=H`), heuristic IntaRNA interaction predictions are widely used to screen
+for interaction in a genome-wide scale. If you are more interested in specific
+details of an interaction site or of two relatively short RNA molecules, you
+should investigate the exact prediction mode (`--mode=S`, or `--mode=E`
+if non-overlapping suboptimal prediction is required).
+
+Given these features, we can emulate and extend a couple of RNA-RNA interaction
+tools using IntaRNA.
+
+**TargetScan** and **RNAhybrid** are approaches that predict the interaction hybrid with
+minimal interaction energy without consideratio whether or not the interacting
+subsequences are probably involved involved in intramolecular base pairings. Furthermore,
+no seed constraint is taken into account.
+This prediction result can be emulated (depending on the used prediction mode)
+by running IntaRNA when disabling both the seed constraint
+as well as the accessibility integration using
+```bash
+# prediction results similar to TargetScan/RNAhybrid
+IntaRNA [..] --noSeed --qAcc=N --tAcc=N
+```
+We *add seed-constraint support to TargetScan/RNAhybrid-like computations* by removing the
+`--noSeed` flag from the above call.
+
+**RNAup** was one of the first RNA-RNA interaction prediction approaches that took the
+accessibility of the interacting subsequences into account while not considering the seed feature.
+IntaRNA's exact prediction mode is eventually an alternative implementation when disabling
+seed constraint incorporation. Furthermore, the unpaired probabilities used by RNAup to score
+the accessibility of subregions are covering the respective overall structural ensemble for each
+interacting RNA, such that we have to disable accessibility computation based on local folding (RNAplfold)
+using
+```bash
+# prediction results similar to RNAup
+IntaRNA --mode=S --noSeed --qAccW=0 --qAccL=0 --tAccW=0 --tAccL=0
+```
+We *add seed-constraint support to RNAup-like computations* by removing the
+`--noSeed` flag from the above call.
+
+
+
+
+
+
+
+
+## Interaction restrictions
+
+The predicted RNA-RNA interactions can be enhanced if additional
+knowledge is available. To this end, IntaRNA provides different options to
+restrict predicted interactions.
+
+A general most general restriction is the maximal energy (inversely related to
+stability) an RNA-RNA interaction is allowed to have. Per default, a reported
+interaction should have a negative energy (<0) to be energetically favorable.
+This report barrier can be altered using `--outMaxE`. For suboptimal interaction
+restriction, please refer to [suboptimal interaction prediction](#subopts) section.
+
+Furthermore, the region where interactions are supposed to occur can be restricted
+for target and query independently. To this end, a list of according index pairs
+can be provided using `--qRegion` and `--tRegion`, respectively. The indexing
+starts with 1 and should be in the format `from1-end1,from2-end2,..` using
+integers.
+
+Finally, it is possible to restrict the overall length an interaction is allowed
+to have. This can be done independently for the query and target sequence using
+`--qIntLenMax` and `--tIntLenMax`, respectively. Both default to the full sequence
+length (by setting both to 0).
+
+
+
+
+
+
+
+
+
+## Seed constraints
+
+For different types of RNA-RNA interactions it was found that experimentally
+verified interactions were showing a short and compact subinteraction of high
+stability (= low energy). It was hypothesized that these regions are among the
+first formed parts of the full RNA-RNA interaction, and thus considered as the
+*seed* of the overall interaction.
+
+Based on this observation, RNA-RNA interaction predictors were enhanced by
+incorporating such seed constraints into their prediction pipeline, i.e. a
+reported interaction has to feature at least one seed. Typically,
+a seed is defined as a short subinteraction of 5-8 consecutive base pairs that
+are not enclosing any unpaired nucleotides (or if so only very few).
+
+IntaRNA supports the definition of such seed constraints and adds further
+options to even more constrain the seed selection. The list of options is given
+by
+- `--seedBP` : the number of base pairs the seed has to show
+- `--seedMaxUP` : the maximal overall number of unpaired bases within the seed
+- `--seedQMaxUP` : the maximal number of unpaired bases within the query's seed region
+- `--seedTMaxUP` : the maximal number of unpaired bases within the target's seed region
+- `--seedMaxE` : the maximal overall energy of the seed (to exclude weak seed interactions)
+- `--seedMinPu` : the minimal unpaired probability of each seed region in query and target
+- `--seedQRange` : a list of index intervals where a seed in the query is allowed
+- `--seedTRange` : a list of index intervals where a seed in the target is allowed
+
+Seed constraint usage can be globally disabled using the `--noSeed` flag.
+
+
-## Cite
-If you use IntaRNA, please cite our [article](http://bioinformatics.oxfordjournals.org/content/24/24/2849):
+
+
+
+
+
+## Output modes
+
+The RNA-RNA interactions predicted by IntaRNA can be provided in different
+formats. The style is set via the argument `--outMode` and the different modes
+will be discussed below.
+
+Furthermore, it is possible to define *where to output*, i.e. using `--out`
+you can either name a file or one of the stream names `STDOUT`|`STDERR`. Note,
+any string not matching one of the two stream names is considered a file name.
+The file will be overwritten by IntaRNA!
+
+
+### Standard RNA-RNA interaction output with ASCII chart
+
+The standard output mode `--outMode=D` provides a detailed ASCII chart of the
+interaction together with its overall interaction energy.
+For an example see the [Just run ...](#defaultRun) section.
+
+
+
+### Detailed RNA-RNA interaction output with ASCII chart
+
+Using `--outMode=D`, a detailed ASCII chart of the interaction together with
+various interaction details will be provided. An example is given below.
+
+```bash
+# call: IntaRNA -t AAACACCCCCGGUGGUUUGG -q AAACACCCCCGGUGGUUUGG --outMode=D --seedBP=4
+
+target
+ 5 12
+ | |
+ 5'-AAAC C UGGUUUGG-3'
+ ACC CCGG
+ ||| ||||
+ UGG GGCC
+ 3'-GGUU U CCCACAAA-5'
+ | |
+ 16 9
+query
+
+interaction seq1 = 5 -- 12
+interaction seq2 = 9 -- 16
+
+interaction energy = -2.78924 kcal/mol
+ = E(init) = 4.1
+ + E(loops) = -13.9
+ + E(dangleLeft) = -0.458042
+ + E(dangleRight) = -0.967473
+ + E(endLeft) = 0.5
+ + E(endRight) = 0
+ + ED(seq1) = 3.91068
+ + ED(seq2) = 4.0256
+ + Pu(seq1) = 0.00175516
+ + Pu(seq2) = 0.00145659
+
+seed seq1 = 9 -- 12
+seed seq2 = 9 -- 12
+seed energy = -1.4098 kcal/mol
+seed ED1 = 2.66437 kcal/mol
+seed ED2 = 2.66437 kcal/mol
+seed Pu1 = 0.0132596
+seed Pu2 = 0.0132596
+```
+Position annotations start indexing with 1 at the 5'-end of each RNA.
+`ED` values are the energy penalties for reduced [accessibility](#accessibility)
+and `Pu` denote unpaired probabilities of the respective interacting subsequences.
+
+
+### Customizable CSV RNA-RNA interaction output
+
+IntaRNA provides via `--outMode=C` a flexible interface to generate RNA-RNA
+interaction output in CSV format (using `;` as separator).
+
+```bash
+# call: IntaRNA -t AAACACCCCCGGUGGUUUGG -q AAACACCCCCGGUGGUUUGG --outMode=C --noSeed --outOverlap=B -n 3
+id1;start1;end1;id2;start2;end2;subseqDP;hybridDP;E
+target;4;14;query;4;14;CACCCCCGGUG&CACCCCCGGUG;((((...((((&))))...))));-4.14154
+target;5;16;query;5;16;ACCCCCGGUGGU&ACCCCCGGUGGU;(((((.((.(((&))))).)).)));-4.04334
+target;1;14;query;4;18;AAACACCCCCGGUG&CACCCCCGGUGGUUU;(((((((...((((&))))...)))).)));-2.94305
+```
+For each prediction, a row in the CSV is generated.
+
+Using the argument `--outCsvCols`, the user can specify what columns are
+printed to the output using a comma-separated list of colIds. Available colIds
+are
+- `id1` : id of first sequence
+- `id2` : id of second sequence
+- `seq1` : full first sequence
+- `seq2` : full second sequence
+- `subseq1` : interacting subsequence of first sequence
+- `subseq2` : interacting subsequence of second sequence
+- `subseqDP` : hybrid subsequences compatible with hybridDP
+- `subseqDB` : hybrid subsequences compatible with hybridDB
+- `start1` : start index of hybrid in seq1
+- `end1` : end index of hybrid in seq1
+- `start2` : start index of hybrid in seq2
+- `end2` : end index of hybrid in seq2
+- `hybridDP` : hybrid in VRNA dot-bracket notation
+- `hybridDB` : hybrid in dot-bar notation
+- `E` : overall hybridization energy
+- `ED1` : ED value of seq1
+- `ED2` : ED value of seq2
+- `Pu1` : probability to be accessible for seq1
+- `Pu2` : probability to be accessible for seq2
+- `E_init` : initiation energy
+- `E_loops` : sum of loop energies (excluding E_init)
+- `E_dangleL` : dangling end contribution of base pair (start1,end2)
+- `E_dangleR` : dangling end contribution of base pair (end1,start2)
+- `E_endL` : penalty of closing base pair (start1,end2)
+- `E_endR` : penalty of closing base pair (end1,start2)
+- `seedStart1` : start index of the seed in seq1
+- `seedEnd1` : end index of the seed in seq1
+- `seedStart2` : start index of the seed in seq2
+- `seedEnd2` : end index of the seed in seq2
+- `seedE` : overall hybridization energy of the seed only (excluding rest)
+- `seedED1` : ED value of seq1 of the seed only (excluding rest)
+- `seedED2` : ED value of seq2 of the seed only (excluding rest)
+- `seedPu1` : probability of seed region to be accessible for seq1
+- `seedPu2` : probability of seed region to be accessible for seq2
+
+Using `--outCsvCols ''`, all available columns are added to the output.
+
+Energies are provided in unit *kcal/mol*, probabilities in the interval [0,1].
+Position annotations start indexing with 1.
+
+The `hybridDP` format is a dot-bracket notation as e.g. generated by **RNAup**.
+Here, for each target sequence position within the interaction,
+a '.' represents a position not involved
+in the interaction while a '(' marks an interacting position. For the query
+sequence this is done analogously but using a ')' for interacting positions.
+Both resulting strings are concatenated by a separator '&' to yield a single
+string encoding of the interaction's base pairing details.
+
+The `hybridDB` format is similar to the `hybridDP` but also provides site information.
+Here, a bar '|' is used in both base pairing encodings (which makes it a 'dot-bar encoding').
+Furthermore, each interaction string is prefixed
+with the start position of the respective interaction site.
+
+In the following, an altered CSV output for the example from above is generated.
+```bash
+# call: IntaRNA --outCsvCols=Pu1,Pu2,subseqDB,hybridDB -t AAACACCCCCGGUGGUUUGG -q AAACACCCCCGGUGGUUUGG --outMode=C --noSeed --outOverlap=B -n 3
+Pu1;Pu2;subseqDB;hybridDB
+0.00133893;0.00133893;4CACCCCCGGUG&4CACCCCCGGUG;4||||...||||&4||||...||||
+0.00134094;0.00134094;5ACCCCCGGUGGU&5ACCCCCGGUGGU;5|||||.||.|||&5|||||.||.|||
+0.00133686;0.0013368;1AAACACCCCCGGUG&4CACCCCCGGUGGUUU;1|||||||...||||&4||||...||||.|||
+```
+
+
+
+### Backward compatible IntaRNA v1.* output
+
+If your scripts/whatever is tuned to the old IntaRNA v1.* output, you can use
+- `--outMode=1` : IntaRNA v1.* normal output
+- `--outMode=O` : IntaRNA v1.* detailed output (former `-o` option)
+
+
+
+
+
+
+## Suboptimal RNA-RNA interaction prediction and output restrictions
+
+Besides the identification of the optimal (e.g. minimum-free-energy) RNA-RNA
+interaction, IntaRNA enables the enumeration of suboptimal interactions. To this
+end, the argument `-n N` or `--outNumber=N` can be used to generate up to `N`
+interactions for each query-target pair (including the optimal one). Note, the
+suboptimal enumeration is increasingly sorted by energy.
+
+Furthermore, it is possible to *restrict (sub)optimal enumeration* using
+- `--outMaxE` : maximal energy for any interaction reported
+- `--outDeltaE` : maximal energy difference of suboptimal interactions' energy
+ to the minimum free energy interaction
+- `--outOverlap` : defines if an where overlapping of reported interaction sites
+ is allowed (Note, IntaRNA v1.* used implicitly the 'T' mode):
+ - 'N' : no overlap neither in target nor query allowed for reported interactions
+ - 'B' : overlap allowed for interacting subsequences for both target and query
+ - 'T' : overlap allowed for interacting subsequences in target only
+ - 'Q' : overlap allowed for interacting subsequences in query only
+
+
+
+
+
+
+
+## Energy parameters and temperatures
+
+The selection of the correct temperature and energy parameters is cruicial for
+a correct RNA-RNA interaction prediction. To this end, various settings are
+supported by IntaRNA.
+
+The temperature can be set via `--temperature=C`to set a temperature `C` in
+degree Celsius. Note, this is important especially for predictions within plants
+etc., since the default temperature is 37°C.
+
+The energy model used can be specified using the `--energy` parameters using
+- 'B' for base pair maximization similar to the Nussinov intramolecular structure prediction.
+ Here, each base pair contributes an energy term of `-1` independently of its
+ structural or sequence context. This mode is mainly useful for study or teaching
+ purpose.
+- 'V' enables *Nearest Neighbor Model* energy computation similar to the Zuker
+ intramolecular structure prediction using the Vienna RNA package routines.
+ Within this model, the energy contribution of a base
+ pair depends on its directly enclosed (neighbored) basepair and the subsequence(s)
+ involved. Different energy parameter sets have been experimentally derived
+ in the last decades. Since IntaRNA makes use of the energy evaluation routines
+ of the Vienna RNA package, all parameter sets from the Vienna RNA package are
+ available for RNA-RNA interaction prediction. Per default, the default parameter
+ set of the linked Vienna RNA package version is used. You can change the parameter
+ set using the `--energyVRNA` parameter as explained below.
+
+If Vienna RNA package is used for energy computation (`--energy=V`), per default
+the default parameter set of the linked Vienna RNA package is used (e.g. the
+set `Turner04` for VRNA 2.3.0). If you want to use a different parameter set, you
+can provide an according parameter file via `--energVRNA=MyParamFile`. The
+following example exemplifies the use of the old `Turner99` parameter set as
+used by IntaRNA v1.*.
+```bash
+# IntaRNA v1.* like energy parameter setup
+IntaRNA --energyVRNA=/usr/local/share/Vienna/rna_turner1999.par --seedMaxE=999
+```
+
+To increase prediction quality and to reduce the computational complexity, the
+number of unpaired bases between intermolecular base pairs is restricted
+(similar to internal loop length restrictions in the Zuker algorithm). The
+upper bound can be set independent for the query and target sequence via
+`--qIntLoopMax` and `--tIntLoopMax`, respectively, and default to 16.
+
+
+
+
+
+## Accessibility and unpaired probabilities
+
+Accessibility describes the availability of an RNA subsequence for intermolecular
+base pairing. It can be expressed in terms of the probability of the subsequence
+to be unpaired (its *unpaired probability* *Pu*).
+
+A limited accessibility, i.e. a low unpaired probability, can be incorporated into
+the RNA-RNA interaction prediction by adding according energy penalties.
+These so called *ED* values are transformed unpaired probabilities, i.e. the
+penalty for a subsequence partaking in an interaction is given by *ED=-RT log(Pu)*,
+where *Pu* denotes the unpaired probability of the subsequence. Within the
+IntaRNA energy model, *ED* values for both interacting subsequences are considered.
+
+Accessibility incorporation can be disabled for query or target sequences using
+`--qAcc=N` or `--tAcc=N`, respectively.
+
+A setup of `--qAcc=C` or `--tAcc=C` (default) enables accessibility computation
+using the Vienna RNA package routines for query or target sequences, respectively.
+
+
+
+### Local versus global unpaired probabilities
+
+Exact computation of unpaired probabilities (*Pu* terms) is considers all possible
+structures the sequence can adopt (the whole structure ensemble). This is referred
+to as *global unpaired probabilities* as computed e.g. by **RNAup**.
+
+Since global probability computation is (a) computationally demanding and (b) not
+reasonable for long sequences, local RNA folding was suggested, which also enables
+according *local unpaired probability* computation, as e.g. done by **RNAplfold**.
+Here, a folding window of a defined length 'screens' along the RNA and computes
+unpaired probabilities within the window (while only intramolecular base pairs
+within the window are considered).
+
+IntaRNA enables both global as well as local unpaired probability computation.
+To this end, the sliding window length has to be specified in order to enable/disable
+local folding.
+
+#### Use case examples global/local unpaired probability computation
+The use of global or local accessibilities can be defined independently
+for query and target sequences using `--qAccW|L` and `--tAccW|L`, respectively.
+Here, `--?AccW` defines the sliding window length (0 sets it to the whole sequence length)
+and `--?AccL` defines the maximal length of considered intramolecular base pairs,
+i.e. the maximal number of positions enclosed by a base pair
+(0 sets it to the whole sequence length). Both can be defined
+independently while respecting `AccL <= AccW`.
+```bash
+# using global accessibilities for query and target
+IntaRNA [..] --qAccW=0 --qAccL=0 --tAccW=0 --qAccL=0
+# using local accessibilities for target and global for query
+IntaRNA [..] --qAccW=0 --qAccL=0 --tAccW=150 --qAccL=100
```
-doi: 10.1093/bioinformatics/btn544
+
+
+
+### Read/write accessibility from/to file or stream
+
+It is possible to read precomputed accessibility values from file or stream to
+avoid their runtime demanding computation. To this end, we support the following
+formats
+
+| Input format | produced by |
+| ---- | --- |
+| RNAplfold unpaired probabilities | `RNAplfold -u` or `IntaRNA --out*PuFile` |
+| RNAplfold-styled ED values | `IntaRNA --out*AccFile` |
+
+The **RNAplfold** format is a table encoding of a banded upper triangular matrix
+with band width l. First row contains a header comment on the data starting with
+`#`. Second line encodes the column headers, i.e. the window width per column.
+Every successive line starts with the index (starting from 1) of the window end
+followed by a tabulator separated list for each windows value in increasing
+window length order. That is, column 2 holds values for window length 1, column
+3 for length 2, ... . The following provides a short output/input
+example for a sequence of length 5 with a maximal window length of 3.
+
```
+#unpaired probabilities
+ #i$ l=1 2 3
+1 0.9949492 NA NA
+2 0.9949079 0.9941056 NA
+3 0.9554214 0.9518663 0.9511048
+4 0.9165814 0.9122866 0.9090283
+5 0.998999 0.915609 0.9117766
+6 0.8549929 0.8541667 0.8448852
+
+```
+
+#### Use case examples for read/write accessibilities and unpaired probabilities
+If you have precomputed data, e.g. the file `plfold_lunp` with unpaired probabilities
+computed by **RNAplfold**, you can run
+```bash
+# fill accessibilities from RNAplfold unpaired probabilities
+IntaRNA [..] --qAcc=P --qAccFile=plfold_lunp
+# fill accessibilities from RNAplfold unpaired probabilities via pipe
+cat plfold_lunp | IntaRNA [..] --qAcc=P --qAccFile=STDIN
+```
+Another option is to store the accessibility data computed by IntaRNA for
+successive calls using
+```bash
+# storing and reusing (target) accessibility (Pu) data for successive IntaRNA calls
+IntaRNA [..] --outTPuFile=intarna.target.pu
+IntaRNA [..] --tAcc=P --tAccFile=intarna.target.pu
+# piping (target) accessibilities (ED values) between IntaRNA calls
+IntaRNA [..] --outTAccFile=STDOUT | IntaRNA [..] --tAcc=E --tAccFile=STDIN
+```
+
+
+
+
+## Multi-threading and parallelized computation
+
+IntaRNA supports the parallelization of the target-query-combination processing.
+The maximal number of threads to be used can be specified using the `--threads` parameter.
+If `--threads=k > 0`, than *k* predictions are processed in parallel.
+
+When using parallelization, you should have the following things in mind:
+
+- Most of the IntaRNA runtime (in heuristic prediction mode)
+ is consumed by [accessibility computation](#accessibility)
+ (if not [loaded from file](#accFromFile)).
+ Currently, due to some thread-safety issues with the
+ routines from the Vienna RNA package, the IntaRNA
+ accessibility computation is done serially. This significantly reduces the
+ multi-threading effect when running IntaRNA in the fast heuristic mode (`--mode=H`).
+ If you run a non-heuristic prediction mode, multi-threading will show a more
+ dramatic decrease in runtime performance, since here the interaction prediction
+ is the computationally more demanding step.
+- The memory consumption will be much higher, since each thread runs an independent
+ prediction (with according memory consumption). Thus, ensure you have enough
+ RAM available when using many threads of memory-demanding
+ [prediction modes](#predModes).
+
+The support for multi-threading can be completely disabled before compilation
+using `configure --disable-multithreading`.
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-# This file is free software; the Free Software Foundation
-# gives unlimited permission to copy and/or distribute it,
-# with or without modifications, as long as this notice is preserved.
-
-# serial 5
-
-# AM_SANITY_CHECK
-# ---------------
-AC_DEFUN([AM_SANITY_CHECK],
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-'
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-
-# Do `set' in a subshell so we don't clobber the current shell's
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-# (eg FreeBSD returns the mod time of the symlink's containing
-# directory).
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- set X `ls -Lt "$srcdir/configure" conftest.file 2> /dev/null`
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- fi
- rm -f conftest.file
- if test "$[*]" != "X $srcdir/configure conftest.file" \
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-
- # If neither matched, then we have a broken ls. This can happen
- # if, for instance, CONFIG_SHELL is bash and it inherits a
- # broken ls alias from the environment. This has actually
- # happened. Such a system could not be considered "sane".
- AC_MSG_ERROR([ls -t appears to fail. Make sure there is not a broken
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- fi
-
- test "$[2]" = conftest.file
- )
-then
- # Ok.
- :
-else
- AC_MSG_ERROR([newly created file is older than distributed files!
-Check your system clock])
-fi
-AC_MSG_RESULT(yes)])
-
-# Copyright (C) 2001, 2003, 2005 Free Software Foundation, Inc.
-#
-# This file is free software; the Free Software Foundation
-# gives unlimited permission to copy and/or distribute it,
-# with or without modifications, as long as this notice is preserved.
-
-# AM_PROG_INSTALL_STRIP
-# ---------------------
-# One issue with vendor `install' (even GNU) is that you can't
-# specify the program used to strip binaries. This is especially
-# annoying in cross-compiling environments, where the build's strip
-# is unlikely to handle the host's binaries.
-# Fortunately install-sh will honor a STRIPPROG variable, so we
-# always use install-sh in `make install-strip', and initialize
-# STRIPPROG with the value of the STRIP variable (set by the user).
-AC_DEFUN([AM_PROG_INSTALL_STRIP],
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-AC_SUBST([INSTALL_STRIP_PROGRAM])])
-
-# Copyright (C) 2006, 2008 Free Software Foundation, Inc.
-#
-# This file is free software; the Free Software Foundation
-# gives unlimited permission to copy and/or distribute it,
-# with or without modifications, as long as this notice is preserved.
-
-# serial 2
-
-# _AM_SUBST_NOTMAKE(VARIABLE)
-# ---------------------------
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-
-# AM_SUBST_NOTMAKE(VARIABLE)
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-# Check how to create a tarball. -*- Autoconf -*-
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-# Copyright (C) 2004, 2005 Free Software Foundation, Inc.
-#
-# This file is free software; the Free Software Foundation
-# gives unlimited permission to copy and/or distribute it,
-# with or without modifications, as long as this notice is preserved.
-
-# serial 2
-
-# _AM_PROG_TAR(FORMAT)
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- am__untar="$_am_tar -xf -"
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-
diff --git a/autotools-init.sh b/autotools-init.sh
new file mode 100644
index 00000000..c0b45757
--- /dev/null
+++ b/autotools-init.sh
@@ -0,0 +1,32 @@
+#!/bin/bash
+#
+# Run this before configure
+#
+
+set -e -o pipefail
+
+#test -d config || mkdir config
+# Produce aclocal.m4, so autoconf gets the automake macros it needs
+echo "Creating aclocal.m4..."
+aclocal || exit $?;
+
+# Produce config.h raw file
+autoheader || exit $?;
+
+# Produce all the `Makefile.in's, verbosely, and create neat missing things
+# like `libtool', `install-sh', etc.
+automake --add-missing --gnu --copy || exit $?;
+
+# If there's a config.cache file, we may need to delete it.
+# If we have an existing configure script, save a copy for comparison.
+if [ -f config.cache ] && [ -f configure ]; then
+ cp configure configure.$$.tmp
+fi
+
+# Produce ./configure
+echo "Creating configure..."
+autoconf || exit $?;
+
+echo ""
+echo "You can run ./configure [--prefix=$HOME] now."
+echo ""
diff --git a/configure b/configure
deleted file mode 100755
index a9beb279..00000000
--- a/configure
+++ /dev/null
@@ -1,5901 +0,0 @@
-#! /bin/sh
-# Guess values for system-dependent variables and create Makefiles.
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-#
-# Copyright (C) 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001,
-# 2002, 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010 Free Software
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- NULLCMD=:
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-
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-'
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- '
- export as_echo_n_body
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- export as_echo_body
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- (PATH='/bin:/bin'; FPATH=$PATH; sh -c :) >/dev/null 2>&1 ||
- PATH_SEPARATOR=';'
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-
- ;;
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-
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-PS1='$ '
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-IFS=$as_save_IFS
-
-if test $ac_prog_rejected = yes; then
- # We found a bogon in the path, so make sure we never use it.
- set dummy $ac_cv_prog_CC
- shift
- if test $# != 0; then
- # We chose a different compiler from the bogus one.
- # However, it has the same basename, so the bogon will be chosen
- # first if we set CC to just the basename; use the full file name.
- shift
- ac_cv_prog_CC="$as_dir/$ac_word${1+' '}$@"
- fi
-fi
-fi
-fi
-CC=$ac_cv_prog_CC
-if test -n "$CC"; then
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: $CC" >&5
-$as_echo "$CC" >&6; }
-else
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5
-$as_echo "no" >&6; }
-fi
-
-
-fi
-if test -z "$CC"; then
- if test -n "$ac_tool_prefix"; then
- for ac_prog in cl.exe
- do
- # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
-set dummy $ac_tool_prefix$ac_prog; ac_word=$2
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5
-$as_echo_n "checking for $ac_word... " >&6; }
-if test "${ac_cv_prog_CC+set}" = set; then :
- $as_echo_n "(cached) " >&6
-else
- if test -n "$CC"; then
- ac_cv_prog_CC="$CC" # Let the user override the test.
-else
-as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
-for as_dir in $PATH
-do
- IFS=$as_save_IFS
- test -z "$as_dir" && as_dir=.
- for ac_exec_ext in '' $ac_executable_extensions; do
- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then
- ac_cv_prog_CC="$ac_tool_prefix$ac_prog"
- $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5
- break 2
- fi
-done
- done
-IFS=$as_save_IFS
-
-fi
-fi
-CC=$ac_cv_prog_CC
-if test -n "$CC"; then
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: $CC" >&5
-$as_echo "$CC" >&6; }
-else
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5
-$as_echo "no" >&6; }
-fi
-
-
- test -n "$CC" && break
- done
-fi
-if test -z "$CC"; then
- ac_ct_CC=$CC
- for ac_prog in cl.exe
-do
- # Extract the first word of "$ac_prog", so it can be a program name with args.
-set dummy $ac_prog; ac_word=$2
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5
-$as_echo_n "checking for $ac_word... " >&6; }
-if test "${ac_cv_prog_ac_ct_CC+set}" = set; then :
- $as_echo_n "(cached) " >&6
-else
- if test -n "$ac_ct_CC"; then
- ac_cv_prog_ac_ct_CC="$ac_ct_CC" # Let the user override the test.
-else
-as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
-for as_dir in $PATH
-do
- IFS=$as_save_IFS
- test -z "$as_dir" && as_dir=.
- for ac_exec_ext in '' $ac_executable_extensions; do
- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then
- ac_cv_prog_ac_ct_CC="$ac_prog"
- $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5
- break 2
- fi
-done
- done
-IFS=$as_save_IFS
-
-fi
-fi
-ac_ct_CC=$ac_cv_prog_ac_ct_CC
-if test -n "$ac_ct_CC"; then
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_CC" >&5
-$as_echo "$ac_ct_CC" >&6; }
-else
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5
-$as_echo "no" >&6; }
-fi
-
-
- test -n "$ac_ct_CC" && break
-done
-
- if test "x$ac_ct_CC" = x; then
- CC=""
- else
- case $cross_compiling:$ac_tool_warned in
-yes:)
-{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5
-$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;}
-ac_tool_warned=yes ;;
-esac
- CC=$ac_ct_CC
- fi
-fi
-
-fi
-
-
-test -z "$CC" && { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5
-$as_echo "$as_me: error: in \`$ac_pwd':" >&2;}
-as_fn_error $? "no acceptable C compiler found in \$PATH
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-
-# Provide some information about the compiler.
-$as_echo "$as_me:${as_lineno-$LINENO}: checking for C compiler version" >&5
-set X $ac_compile
-ac_compiler=$2
-for ac_option in --version -v -V -qversion; do
- { { ac_try="$ac_compiler $ac_option >&5"
-case "(($ac_try" in
- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;;
- *) ac_try_echo=$ac_try;;
-esac
-eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\""
-$as_echo "$ac_try_echo"; } >&5
- (eval "$ac_compiler $ac_option >&5") 2>conftest.err
- ac_status=$?
- if test -s conftest.err; then
- sed '10a\
-... rest of stderr output deleted ...
- 10q' conftest.err >conftest.er1
- cat conftest.er1 >&5
- fi
- rm -f conftest.er1 conftest.err
- $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5
- test $ac_status = 0; }
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-
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU C compiler" >&5
-$as_echo_n "checking whether we are using the GNU C compiler... " >&6; }
-if test "${ac_cv_c_compiler_gnu+set}" = set; then :
- $as_echo_n "(cached) " >&6
-else
- cat confdefs.h - <<_ACEOF >conftest.$ac_ext
-/* end confdefs.h. */
-
-int
-main ()
-{
-#ifndef __GNUC__
- choke me
-#endif
-
- ;
- return 0;
-}
-_ACEOF
-if ac_fn_c_try_compile "$LINENO"; then :
- ac_compiler_gnu=yes
-else
- ac_compiler_gnu=no
-fi
-rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
-ac_cv_c_compiler_gnu=$ac_compiler_gnu
-
-fi
-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_c_compiler_gnu" >&5
-$as_echo "$ac_cv_c_compiler_gnu" >&6; }
-if test $ac_compiler_gnu = yes; then
- GCC=yes
-else
- GCC=
-fi
-ac_test_CFLAGS=${CFLAGS+set}
-ac_save_CFLAGS=$CFLAGS
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $CC accepts -g" >&5
-$as_echo_n "checking whether $CC accepts -g... " >&6; }
-if test "${ac_cv_prog_cc_g+set}" = set; then :
- $as_echo_n "(cached) " >&6
-else
- ac_save_c_werror_flag=$ac_c_werror_flag
- ac_c_werror_flag=yes
- ac_cv_prog_cc_g=no
- CFLAGS="-g"
- cat confdefs.h - <<_ACEOF >conftest.$ac_ext
-/* end confdefs.h. */
-
-int
-main ()
-{
-
- ;
- return 0;
-}
-_ACEOF
-if ac_fn_c_try_compile "$LINENO"; then :
- ac_cv_prog_cc_g=yes
-else
- CFLAGS=""
- cat confdefs.h - <<_ACEOF >conftest.$ac_ext
-/* end confdefs.h. */
-
-int
-main ()
-{
-
- ;
- return 0;
-}
-_ACEOF
-if ac_fn_c_try_compile "$LINENO"; then :
-
-else
- ac_c_werror_flag=$ac_save_c_werror_flag
- CFLAGS="-g"
- cat confdefs.h - <<_ACEOF >conftest.$ac_ext
-/* end confdefs.h. */
-
-int
-main ()
-{
-
- ;
- return 0;
-}
-_ACEOF
-if ac_fn_c_try_compile "$LINENO"; then :
- ac_cv_prog_cc_g=yes
-fi
-rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
-fi
-rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
-fi
-rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
- ac_c_werror_flag=$ac_save_c_werror_flag
-fi
-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_cc_g" >&5
-$as_echo "$ac_cv_prog_cc_g" >&6; }
-if test "$ac_test_CFLAGS" = set; then
- CFLAGS=$ac_save_CFLAGS
-elif test $ac_cv_prog_cc_g = yes; then
- if test "$GCC" = yes; then
- CFLAGS="-g -O2"
- else
- CFLAGS="-g"
- fi
-else
- if test "$GCC" = yes; then
- CFLAGS="-O2"
- else
- CFLAGS=
- fi
-fi
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $CC option to accept ISO C89" >&5
-$as_echo_n "checking for $CC option to accept ISO C89... " >&6; }
-if test "${ac_cv_prog_cc_c89+set}" = set; then :
- $as_echo_n "(cached) " >&6
-else
- ac_cv_prog_cc_c89=no
-ac_save_CC=$CC
-cat confdefs.h - <<_ACEOF >conftest.$ac_ext
-/* end confdefs.h. */
-#include
-#include
-#include
-#include
-/* Most of the following tests are stolen from RCS 5.7's src/conf.sh. */
-struct buf { int x; };
-FILE * (*rcsopen) (struct buf *, struct stat *, int);
-static char *e (p, i)
- char **p;
- int i;
-{
- return p[i];
-}
-static char *f (char * (*g) (char **, int), char **p, ...)
-{
- char *s;
- va_list v;
- va_start (v,p);
- s = g (p, va_arg (v,int));
- va_end (v);
- return s;
-}
-
-/* OSF 4.0 Compaq cc is some sort of almost-ANSI by default. It has
- function prototypes and stuff, but not '\xHH' hex character constants.
- These don't provoke an error unfortunately, instead are silently treated
- as 'x'. The following induces an error, until -std is added to get
- proper ANSI mode. Curiously '\x00'!='x' always comes out true, for an
- array size at least. It's necessary to write '\x00'==0 to get something
- that's true only with -std. */
-int osf4_cc_array ['\x00' == 0 ? 1 : -1];
-
-/* IBM C 6 for AIX is almost-ANSI by default, but it replaces macro parameters
- inside strings and character constants. */
-#define FOO(x) 'x'
-int xlc6_cc_array[FOO(a) == 'x' ? 1 : -1];
-
-int test (int i, double x);
-struct s1 {int (*f) (int a);};
-struct s2 {int (*f) (double a);};
-int pairnames (int, char **, FILE *(*)(struct buf *, struct stat *, int), int, int);
-int argc;
-char **argv;
-int
-main ()
-{
-return f (e, argv, 0) != argv[0] || f (e, argv, 1) != argv[1];
- ;
- return 0;
-}
-_ACEOF
-for ac_arg in '' -qlanglvl=extc89 -qlanglvl=ansi -std \
- -Ae "-Aa -D_HPUX_SOURCE" "-Xc -D__EXTENSIONS__"
-do
- CC="$ac_save_CC $ac_arg"
- if ac_fn_c_try_compile "$LINENO"; then :
- ac_cv_prog_cc_c89=$ac_arg
-fi
-rm -f core conftest.err conftest.$ac_objext
- test "x$ac_cv_prog_cc_c89" != "xno" && break
-done
-rm -f conftest.$ac_ext
-CC=$ac_save_CC
-
-fi
-# AC_CACHE_VAL
-case "x$ac_cv_prog_cc_c89" in
- x)
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: none needed" >&5
-$as_echo "none needed" >&6; } ;;
- xno)
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: unsupported" >&5
-$as_echo "unsupported" >&6; } ;;
- *)
- CC="$CC $ac_cv_prog_cc_c89"
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_cc_c89" >&5
-$as_echo "$ac_cv_prog_cc_c89" >&6; } ;;
-esac
-if test "x$ac_cv_prog_cc_c89" != xno; then :
-
-fi
-
-ac_ext=c
-ac_cpp='$CPP $CPPFLAGS'
-ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
-ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_c_compiler_gnu
-
-
-am__api_version='1.11'
-
-# Find a good install program. We prefer a C program (faster),
-# so one script is as good as another. But avoid the broken or
-# incompatible versions:
-# SysV /etc/install, /usr/sbin/install
-# SunOS /usr/etc/install
-# IRIX /sbin/install
-# AIX /bin/install
-# AmigaOS /C/install, which installs bootblocks on floppy discs
-# AIX 4 /usr/bin/installbsd, which doesn't work without a -g flag
-# AFS /usr/afsws/bin/install, which mishandles nonexistent args
-# SVR4 /usr/ucb/install, which tries to use the nonexistent group "staff"
-# OS/2's system install, which has a completely different semantic
-# ./install, which can be erroneously created by make from ./install.sh.
-# Reject install programs that cannot install multiple files.
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for a BSD-compatible install" >&5
-$as_echo_n "checking for a BSD-compatible install... " >&6; }
-if test -z "$INSTALL"; then
-if test "${ac_cv_path_install+set}" = set; then :
- $as_echo_n "(cached) " >&6
-else
- as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
-for as_dir in $PATH
-do
- IFS=$as_save_IFS
- test -z "$as_dir" && as_dir=.
- # Account for people who put trailing slashes in PATH elements.
-case $as_dir/ in #((
- ./ | .// | /[cC]/* | \
- /etc/* | /usr/sbin/* | /usr/etc/* | /sbin/* | /usr/afsws/bin/* | \
- ?:[\\/]os2[\\/]install[\\/]* | ?:[\\/]OS2[\\/]INSTALL[\\/]* | \
- /usr/ucb/* ) ;;
- *)
- # OSF1 and SCO ODT 3.0 have their own names for install.
- # Don't use installbsd from OSF since it installs stuff as root
- # by default.
- for ac_prog in ginstall scoinst install; do
- for ac_exec_ext in '' $ac_executable_extensions; do
- if { test -f "$as_dir/$ac_prog$ac_exec_ext" && $as_test_x "$as_dir/$ac_prog$ac_exec_ext"; }; then
- if test $ac_prog = install &&
- grep dspmsg "$as_dir/$ac_prog$ac_exec_ext" >/dev/null 2>&1; then
- # AIX install. It has an incompatible calling convention.
- :
- elif test $ac_prog = install &&
- grep pwplus "$as_dir/$ac_prog$ac_exec_ext" >/dev/null 2>&1; then
- # program-specific install script used by HP pwplus--don't use.
- :
- else
- rm -rf conftest.one conftest.two conftest.dir
- echo one > conftest.one
- echo two > conftest.two
- mkdir conftest.dir
- if "$as_dir/$ac_prog$ac_exec_ext" -c conftest.one conftest.two "`pwd`/conftest.dir" &&
- test -s conftest.one && test -s conftest.two &&
- test -s conftest.dir/conftest.one &&
- test -s conftest.dir/conftest.two
- then
- ac_cv_path_install="$as_dir/$ac_prog$ac_exec_ext -c"
- break 3
- fi
- fi
- fi
- done
- done
- ;;
-esac
-
- done
-IFS=$as_save_IFS
-
-rm -rf conftest.one conftest.two conftest.dir
-
-fi
- if test "${ac_cv_path_install+set}" = set; then
- INSTALL=$ac_cv_path_install
- else
- # As a last resort, use the slow shell script. Don't cache a
- # value for INSTALL within a source directory, because that will
- # break other packages using the cache if that directory is
- # removed, or if the value is a relative name.
- INSTALL=$ac_install_sh
- fi
-fi
-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $INSTALL" >&5
-$as_echo "$INSTALL" >&6; }
-
-# Use test -z because SunOS4 sh mishandles braces in ${var-val}.
-# It thinks the first close brace ends the variable substitution.
-test -z "$INSTALL_PROGRAM" && INSTALL_PROGRAM='${INSTALL}'
-
-test -z "$INSTALL_SCRIPT" && INSTALL_SCRIPT='${INSTALL}'
-
-test -z "$INSTALL_DATA" && INSTALL_DATA='${INSTALL} -m 644'
-
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether build environment is sane" >&5
-$as_echo_n "checking whether build environment is sane... " >&6; }
-# Just in case
-sleep 1
-echo timestamp > conftest.file
-# Reject unsafe characters in $srcdir or the absolute working directory
-# name. Accept space and tab only in the latter.
-am_lf='
-'
-case `pwd` in
- *[\\\"\#\$\&\'\`$am_lf]*)
- as_fn_error $? "unsafe absolute working directory name" "$LINENO" 5;;
-esac
-case $srcdir in
- *[\\\"\#\$\&\'\`$am_lf\ \ ]*)
- as_fn_error $? "unsafe srcdir value: \`$srcdir'" "$LINENO" 5;;
-esac
-
-# Do `set' in a subshell so we don't clobber the current shell's
-# arguments. Must try -L first in case configure is actually a
-# symlink; some systems play weird games with the mod time of symlinks
-# (eg FreeBSD returns the mod time of the symlink's containing
-# directory).
-if (
- set X `ls -Lt "$srcdir/configure" conftest.file 2> /dev/null`
- if test "$*" = "X"; then
- # -L didn't work.
- set X `ls -t "$srcdir/configure" conftest.file`
- fi
- rm -f conftest.file
- if test "$*" != "X $srcdir/configure conftest.file" \
- && test "$*" != "X conftest.file $srcdir/configure"; then
-
- # If neither matched, then we have a broken ls. This can happen
- # if, for instance, CONFIG_SHELL is bash and it inherits a
- # broken ls alias from the environment. This has actually
- # happened. Such a system could not be considered "sane".
- as_fn_error $? "ls -t appears to fail. Make sure there is not a broken
-alias in your environment" "$LINENO" 5
- fi
-
- test "$2" = conftest.file
- )
-then
- # Ok.
- :
-else
- as_fn_error $? "newly created file is older than distributed files!
-Check your system clock" "$LINENO" 5
-fi
-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: yes" >&5
-$as_echo "yes" >&6; }
-test "$program_prefix" != NONE &&
- program_transform_name="s&^&$program_prefix&;$program_transform_name"
-# Use a double $ so make ignores it.
-test "$program_suffix" != NONE &&
- program_transform_name="s&\$&$program_suffix&;$program_transform_name"
-# Double any \ or $.
-# By default was `s,x,x', remove it if useless.
-ac_script='s/[\\$]/&&/g;s/;s,x,x,$//'
-program_transform_name=`$as_echo "$program_transform_name" | sed "$ac_script"`
-
-# expand $ac_aux_dir to an absolute path
-am_aux_dir=`cd $ac_aux_dir && pwd`
-
-if test x"${MISSING+set}" != xset; then
- case $am_aux_dir in
- *\ * | *\ *)
- MISSING="\${SHELL} \"$am_aux_dir/missing\"" ;;
- *)
- MISSING="\${SHELL} $am_aux_dir/missing" ;;
- esac
-fi
-# Use eval to expand $SHELL
-if eval "$MISSING --run true"; then
- am_missing_run="$MISSING --run "
-else
- am_missing_run=
- { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: \`missing' script is too old or missing" >&5
-$as_echo "$as_me: WARNING: \`missing' script is too old or missing" >&2;}
-fi
-
-if test x"${install_sh}" != xset; then
- case $am_aux_dir in
- *\ * | *\ *)
- install_sh="\${SHELL} '$am_aux_dir/install-sh'" ;;
- *)
- install_sh="\${SHELL} $am_aux_dir/install-sh"
- esac
-fi
-
-# Installed binaries are usually stripped using `strip' when the user
-# run `make install-strip'. However `strip' might not be the right
-# tool to use in cross-compilation environments, therefore Automake
-# will honor the `STRIP' environment variable to overrule this program.
-if test "$cross_compiling" != no; then
- if test -n "$ac_tool_prefix"; then
- # Extract the first word of "${ac_tool_prefix}strip", so it can be a program name with args.
-set dummy ${ac_tool_prefix}strip; ac_word=$2
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5
-$as_echo_n "checking for $ac_word... " >&6; }
-if test "${ac_cv_prog_STRIP+set}" = set; then :
- $as_echo_n "(cached) " >&6
-else
- if test -n "$STRIP"; then
- ac_cv_prog_STRIP="$STRIP" # Let the user override the test.
-else
-as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
-for as_dir in $PATH
-do
- IFS=$as_save_IFS
- test -z "$as_dir" && as_dir=.
- for ac_exec_ext in '' $ac_executable_extensions; do
- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then
- ac_cv_prog_STRIP="${ac_tool_prefix}strip"
- $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5
- break 2
- fi
-done
- done
-IFS=$as_save_IFS
-
-fi
-fi
-STRIP=$ac_cv_prog_STRIP
-if test -n "$STRIP"; then
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: $STRIP" >&5
-$as_echo "$STRIP" >&6; }
-else
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5
-$as_echo "no" >&6; }
-fi
-
-
-fi
-if test -z "$ac_cv_prog_STRIP"; then
- ac_ct_STRIP=$STRIP
- # Extract the first word of "strip", so it can be a program name with args.
-set dummy strip; ac_word=$2
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5
-$as_echo_n "checking for $ac_word... " >&6; }
-if test "${ac_cv_prog_ac_ct_STRIP+set}" = set; then :
- $as_echo_n "(cached) " >&6
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-_ACEOF
-
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-
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-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $debuger" >&5
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-/* end confdefs.h. */
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-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_lib_RNA_energy_of_struct" >&5
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-
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-
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-###############################################################################
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-
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- { $as_echo "$as_me:${as_lineno-$LINENO}: the Vienna RNA C library is required for building the program." >&5
-$as_echo "$as_me: the Vienna RNA C library is required for building the program." >&6;}
- { $as_echo "$as_me:${as_lineno-$LINENO}: it can be obtained from http://www.tbi.univie.ac.at/~ivo/RNA/." >&5
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- { $as_echo "$as_me:${as_lineno-$LINENO}: " >&5
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- { $as_echo "$as_me:${as_lineno-$LINENO}: if Vienna RNA is installed elsewhere use --with-RNA=PREFIX." >&5
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- fi
- DEPENDENCYNOTFOUND=1;
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-
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-
-###############################################################################
-# END DO NOT COMPILE CHECKS
-###############################################################################
-
-
-
-ac_config_files="$ac_config_files Makefile"
-
-ac_config_files="$ac_config_files src/Makefile"
-
-
-cat >confcache <<\_ACEOF
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-
diff --git a/configure.ac b/configure.ac
index 2ef42ae2..db8b9168 100644
--- a/configure.ac
+++ b/configure.ac
@@ -1,139 +1,231 @@
-
-AC_PREREQ(2.59)
-
-AC_INIT([IntaRNA], [1.2.5], [intarna@informatik.uni-freiburg.de])
-
-AC_CONFIG_SRCDIR(src/energy.h)
-AC_CONFIG_AUX_DIR([.])
-
-# Checks for programs.
-AC_PROG_CXX
-AC_PROG_CC
-
-AM_INIT_AUTOMAKE
-
-AC_LANG_CPLUSPLUS
-
-###############################################################################
-# BEGIN PATH-SUPPORT CHECK
-###############################################################################
-
-# Vienna RNA package library path support, if not installed in usual directories
-AC_ARG_WITH(RNA,
- AC_HELP_STRING(
- [--with-RNA=PREFIX],
- [alternative prefix path to Vienna RNA library]
- ),
- RNAPATHSET=1,
- RNAPATHSET=0
-)
-if test $RNAPATHSET = 1 ; then
- CXXFLAGS="-I$with_RNA/include $CXXFLAGS"
- LDFLAGS="-L$with_RNA/lib $LDFLAGS"
-fi
-
-# add the Vienna RNA lib to the libraries used
-LIBS="-lRNA $LIBS"
-
-###############################################################################
-# END PATH-SUPPORT CHECK
-###############################################################################
-
-# add all libraries to the LDFLAGS for linking
-LDFLAGS="$LDFLAGS $LIBS"
-
-###############################################################################
-# BEGIN MISC CHECKS
-###############################################################################
-
-# Checks for header files.
-AC_HEADER_STDC
-
-# Checks for typedefs, structures, and compiler characteristics.
-AC_C_CONST
-AC_TYPE_SIZE_T
-
-# Check if everything should be compiled in DEBUG mode
-AC_MSG_CHECKING(whether to build in debug mode with assertions)
-debuger=no
-AC_ARG_ENABLE(debug,
- AC_HELP_STRING(
- [--enable-debug],
- [enable debug mode and assertions (default=disabled)]
- ),
- debuger="$enableval"
-)
-AC_MSG_RESULT($debuger)
-if test x"$debuger" = x"yes"; then
- AC_DEFINE(DEBUG)
- CXXFLAGS="$CXXFLAGS -g -Wall -Wno-uninitialized -O0"
- LDFLAGS="$LDFLAGS -g -Wall -Wno-uninitialized -O0"
-else
- AC_DEFINE(NDEBUG)
- CXXFLAGS="-O2 $CXXFLAGS"
-fi
-
-###############################################################################
-# END MISC CHECKS
-###############################################################################
-
-###############################################################################
-# BEGIN VIENNA CHECK
-###############################################################################
-
-# check for Vienna RNA headers
-AC_MSG_CHECKING([for the Vienna RNA C header])
-AC_COMPILE_IFELSE(
- [ #include ],
- [
- AC_MSG_RESULT(yes)
- AC_CHECK_LIB(RNA, [energy_of_struct], [RNANOTFOUND=0], [ RNANOTFOUND=1])
- ],
- [
- AC_MSG_RESULT(no)
- RNANOTFOUND=1;
- ]
-)
-
-###############################################################################
-# END VIENNA CHECK
-###############################################################################
-
-
-###############################################################################
-# BEGIN DO NOT COMPILE CHECKS
-###############################################################################
-
-# flag for final abort if one of the dependency was not found but all were checked
-DEPENDENCYNOTFOUND=0;
-
-# error output if ViennaRNA not found
-if test "$RNANOTFOUND" = "1"; then
- AC_MSG_NOTICE()
- AC_MSG_NOTICE(the Vienna RNA C library is required for building the program.)
- AC_MSG_NOTICE(it can be obtained from http://www.tbi.univie.ac.at/~ivo/RNA/.)
- AC_MSG_NOTICE()
- if test "$RNAPATHSET" = "1"; then
- AC_MSG_NOTICE(cant find Vienna RNA library in given path '$with_RNA'.)
- else
- AC_MSG_NOTICE(if Vienna RNA is installed elsewhere use --with-RNA=PREFIX.)
- fi
- DEPENDENCYNOTFOUND=1;
-fi
-
-# error ABORT if on of the libraries was not found
-if test "$DEPENDENCYNOTFOUND" = "1"; then
- AC_MSG_NOTICE()
- AC_MSG_ERROR(library not found! Try './configure --help'.)
-fi
-
-###############################################################################
-# END DO NOT COMPILE CHECKS
-###############################################################################
-
-
-
-AC_CONFIG_FILES([ Makefile ])
-AC_CONFIG_FILES([ src/Makefile ])
-
-AC_OUTPUT
+# this is example-file: configure.ac
+
+AC_PREREQ([2.65])
+# 5 argument version only available with aclocal >= 2.64
+AC_INIT( [IntaRNA], [2.0.0], [], [intaRNA], [http://www.bioinf.uni-freiburg.de] )
+
+
+# minimal required version of the boost library
+BOOST_REQUIRED_VERSION=1.50.0
+
+
+AC_CANONICAL_HOST
+AC_CONFIG_AUX_DIR([.])
+AC_CONFIG_SRCDIR([src/intaRNA.cpp])
+AC_CONFIG_HEADERS([src/config.h])
+
+m4_include([m4/m4_ax_boost_base.m4])
+m4_include([m4/m4_ax_cxx_compile_stdcxx.m4])
+m4_include([m4/m4_ax_openmp.m4])
+
+lt_enable_auto_import=""
+case "$host_os" in
+ cygwin* | mingw* | cegcc*)
+ AM_LDFLAGS="-Wl,--enable-auto-import $AM_LDFLAGS"
+esac
+
+# Checks for programs
+
+# check for C++ compiler
+# store current compiler flags to avoid default setup via AC_PROG_CXX and *_CC
+OLD_CXXFLAGS=$CXXFLAGS
+OLD_CFLAGS=$CFLAGS
+# Checks for programs.
+AC_PROG_CXX
+AC_PROG_CC
+# reset compiler flags to initial flags
+CXXFLAGS=$OLD_CXXFLAGS
+CFLAGS=$OLD_CFLAGS
+
+# automake initialisation (mandatory) and check for minimal automake API version
+AM_INIT_AUTOMAKE([1.11])
+
+# use the C++ compiler for the following checks
+AC_LANG([C++])
+
+# ensure we are using c11 C++ standard
+AX_CXX_COMPILE_STDCXX( [11], [noext], [mandatory])
+
+# ensure OPENMP can be used
+AX_OPENMP([],[AC_MSG_ERROR([OPENMP support is mandatory for compilation])]])
+AM_CXXFLAGS="$AM_CXXFLAGS $OPENMP_CXXFLAGS"
+
+###############################################################################
+###############################################################################
+
+############ PARAMETERS ########################################
+
+###############################################################################
+# DEBUG SUPPORT SETUP
+###############################################################################
+
+AC_MSG_CHECKING([whether to build with debug information])
+debuger=no
+AC_ARG_ENABLE([debug],
+ [AS_HELP_STRING([--enable-debug],
+ [enable debug data generation (def=disabled)])],
+ [debuger="$enableval"])
+AC_MSG_RESULT([$debuger])
+if test x"$debuger" = x"yes"; then
+ AC_DEFINE([_DEBUG], [1], [Run in DEBUG mode with additional assertions and debug output])
+ AM_CXXFLAGS="$AM_CXXFLAGS -g -O0 -Wno-uninitialized -Wno-deprecated" # -Wall"
+else
+ AC_DEFINE([NDEBUG], [1], [Run in normal mode with minimal assertions])
+ AM_CXXFLAGS="$AM_CXXFLAGS -O3 -fno-strict-aliasing -Wno-uninitialized -Wno-deprecated"
+fi
+
+
+###############################################################################
+# DEBUG SUPPORT SETUP
+###############################################################################
+
+AC_MSG_CHECKING([whether to enable multi-threading support])
+multithreadingEnabled=yes
+AC_ARG_ENABLE([multithreading],
+ [AS_HELP_STRING([--disable-multithreading],
+ [disable multi-threading support (def=enabled)])],
+ [multithreadingEnabled="$enableval"],
+ [multithreadingEnabled=yes])
+AC_MSG_RESULT([$multithreadingEnabled])
+if test x"$multithreadingEnabled" = x"yes"; then
+ AC_DEFINE([INTARNA_MULITHREADING], [1], [Enabling multi-threading support])
+ AC_SUBST([INTARNA_MULITHREADING],[1])
+else
+ AC_DEFINE([INTARNA_MULITHREADING], [0], [Disabling multi-threading support])
+ AC_SUBST([INTARNA_MULITHREADING],[0])
+fi
+
+###############################################################################
+# Vienna RNA package library path support, if not installed in usual directories
+###############################################################################
+AC_ARG_WITH([RNA],
+ [AC_HELP_STRING(
+ [--with-RNA=PREFIX],
+ [alternative prefix path to Vienna RNA library]
+ )],
+ [RNAPATHSET=1],
+ [RNAPATHSET=0]
+)
+if test $RNAPATHSET = 1 ; then
+ # set compiler and linker flags if needed
+ AM_CXXFLAGS="-I$with_RNA/include $AM_CXXFLAGS"
+ AM_LDFLAGS="-L$with_RNA/lib $AM_LDFLAGS"
+fi
+
+###############################################################################
+###############################################################################
+
+
+###############################################################################
+# BOOST CHECK
+###############################################################################
+
+AX_BOOST_BASE([$BOOST_REQUIRED_VERSION], [FOUND_BOOST=1;], [FOUND_BOOST=0;])
+
+
+############ CHECKS ############################################
+
+# Checks for typedefs, structures, and compiler characteristics.
+AC_TYPE_SIZE_T
+
+# Checks for header files.
+AC_HEADER_STDC
+
+
+##########################################################################
+# check boost test results
+##########################################################################
+
+# FOUND_BOOST is only defined if want_boost is "yes"
+if test $want_boost = "no" || test $FOUND_BOOST != 1; then
+ AC_MSG_NOTICE([])
+ AC_MSG_NOTICE([The Boost Library was not found!])
+ AC_MSG_NOTICE([ -> If installed in a non-standard path, please use '--with-boost=PREFIX'.])
+ AC_MSG_NOTICE([])
+ DEPENDENCYNOTFOUND=1;
+else
+ AM_CXXFLAGS="$BOOST_CPPFLAGS $AM_CXXFLAGS"
+ AM_LDFLAGS="$BOOST_LDFLAGS $AM_LDFLAGS"
+ LIBS="$LIBS -lboost_regex -lboost_program_options -lboost_filesystem -lboost_system"
+fi
+
+
+###############################################################################
+# BEGIN VIENNA CHECK
+###############################################################################
+# check for Vienna RNA headers
+AC_MSG_CHECKING([for the Vienna RNA package headers version >= 2.3.0])
+OLD_CPPFLAGS=$CPPFLAGS
+OLD_CXXFLAGS=$CXXFLAGS
+OLD_LDFLAGS=$LDFLAGS
+AC_LANG_PUSH([C])
+CPPFLAGS="$CPPFLAGS $AM_CXXFLAGS"
+LDFLAGS="$LDFLAGS $AM_LDFLAGS"
+AC_COMPILE_IFELSE(
+ [AC_LANG_PROGRAM([[#include ]],[[vrna_md_t tmp; vrna_md_copy(&tmp,&tmp);]])],
+ [
+ AC_MSG_RESULT([yes])
+ RNANOTFOUND=0;
+ ],
+ [
+ AC_MSG_RESULT([no])
+ AC_MSG_NOTICE([DEBUG : used CPPFLAGS = $CPPFLAGS])
+ AC_MSG_NOTICE([DEBUG : used LDFLAGS = $LDFLAGS])
+ RNANOTFOUND=1;
+ ]
+)
+AC_LANG_POP([C])
+CPPFLAGS=$OLD_CPPFLAGS
+LDFLAGS=$OLD_LDFLAGS
+
+# error output if ViennaRNA not found
+if test "$RNANOTFOUND" = "1"; then
+ AC_MSG_NOTICE()
+ AC_MSG_NOTICE([The Vienna RNA C library version >= 2.3.0 is required.])
+ AC_MSG_NOTICE([ -> It can be obtained from http://www.tbi.univie.ac.at/.])
+ AC_MSG_NOTICE()
+ if test "$RNAPATHSET" = "1"; then
+ AC_MSG_NOTICE([ -> Can't find the Vienna RNA library in given path '$with_RNA'.])
+ else
+ AC_MSG_NOTICE([ -> If installed in a non-standard path, please use '--with-RNA=PREFIX'.])
+ fi
+ DEPENDENCYNOTFOUND=1;
+else
+ # register Vienna RNA lib for linking
+ LIBS="$LIBS -lRNA"
+fi
+
+
+###############################################################################
+# END VIENNA CHECK
+###############################################################################
+
+###############################################################################
+# FINAL DEPENDENCY CHECK AND EXIT IF NEEDED
+###############################################################################
+
+# error ABORT if on of the libraries was not found
+if test "$DEPENDENCYNOTFOUND" = "1"; then
+ AC_MSG_NOTICE()
+ AC_MSG_ERROR([Some dependency was not met! See above for errors and relate to './configure --help'.])
+fi
+
+##########################################################################
+
+
+
+# distribute additional compiler and linker flags
+# --> set these variables instead of CXXFLAGS or LDFLAGS
+AC_SUBST([AM_CXXFLAGS])
+AC_SUBST([AM_LDFLAGS])
+AC_SUBST([LIBS])
+
+# files to generate via autotools (.am or .in source files)
+AC_CONFIG_FILES([Makefile])
+AC_CONFIG_FILES([src/Makefile])
+AC_CONFIG_FILES([src/intarna_config.h])
+AC_CONFIG_FILES([perl/Makefile])
+AC_CONFIG_FILES([tests/Makefile])
+
+# generate the final Makefile etc.
+AC_OUTPUT
diff --git a/depcomp b/depcomp
deleted file mode 100755
index e5f9736c..00000000
--- a/depcomp
+++ /dev/null
@@ -1,589 +0,0 @@
-#! /bin/sh
-# depcomp - compile a program generating dependencies as side-effects
-
-scriptversion=2007-03-29.01
-
-# Copyright (C) 1999, 2000, 2003, 2004, 2005, 2006, 2007 Free Software
-# Foundation, Inc.
-
-# This program is free software; you can redistribute it and/or modify
-# it under the terms of the GNU General Public License as published by
-# the Free Software Foundation; either version 2, or (at your option)
-# any later version.
-
-# This program is distributed in the hope that it will be useful,
-# but WITHOUT ANY WARRANTY; without even the implied warranty of
-# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
-# GNU General Public License for more details.
-
-# You should have received a copy of the GNU General Public License
-# along with this program; if not, write to the Free Software
-# Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
-# 02110-1301, USA.
-
-# As a special exception to the GNU General Public License, if you
-# distribute this file as part of a program that contains a
-# configuration script generated by Autoconf, you may include it under
-# the same distribution terms that you use for the rest of that program.
-
-# Originally written by Alexandre Oliva .
-
-case $1 in
- '')
- echo "$0: No command. Try \`$0 --help' for more information." 1>&2
- exit 1;
- ;;
- -h | --h*)
- cat <<\EOF
-Usage: depcomp [--help] [--version] PROGRAM [ARGS]
-
-Run PROGRAMS ARGS to compile a file, generating dependencies
-as side-effects.
-
-Environment variables:
- depmode Dependency tracking mode.
- source Source file read by `PROGRAMS ARGS'.
- object Object file output by `PROGRAMS ARGS'.
- DEPDIR directory where to store dependencies.
- depfile Dependency file to output.
- tmpdepfile Temporary file to use when outputing dependencies.
- libtool Whether libtool is used (yes/no).
-
-Report bugs to .
-EOF
- exit $?
- ;;
- -v | --v*)
- echo "depcomp $scriptversion"
- exit $?
- ;;
-esac
-
-if test -z "$depmode" || test -z "$source" || test -z "$object"; then
- echo "depcomp: Variables source, object and depmode must be set" 1>&2
- exit 1
-fi
-
-# Dependencies for sub/bar.o or sub/bar.obj go into sub/.deps/bar.Po.
-depfile=${depfile-`echo "$object" |
- sed 's|[^\\/]*$|'${DEPDIR-.deps}'/&|;s|\.\([^.]*\)$|.P\1|;s|Pobj$|Po|'`}
-tmpdepfile=${tmpdepfile-`echo "$depfile" | sed 's/\.\([^.]*\)$/.T\1/'`}
-
-rm -f "$tmpdepfile"
-
-# Some modes work just like other modes, but use different flags. We
-# parameterize here, but still list the modes in the big case below,
-# to make depend.m4 easier to write. Note that we *cannot* use a case
-# here, because this file can only contain one case statement.
-if test "$depmode" = hp; then
- # HP compiler uses -M and no extra arg.
- gccflag=-M
- depmode=gcc
-fi
-
-if test "$depmode" = dashXmstdout; then
- # This is just like dashmstdout with a different argument.
- dashmflag=-xM
- depmode=dashmstdout
-fi
-
-case "$depmode" in
-gcc3)
-## gcc 3 implements dependency tracking that does exactly what
-## we want. Yay! Note: for some reason libtool 1.4 doesn't like
-## it if -MD -MP comes after the -MF stuff. Hmm.
-## Unfortunately, FreeBSD c89 acceptance of flags depends upon
-## the command line argument order; so add the flags where they
-## appear in depend2.am. Note that the slowdown incurred here
-## affects only configure: in makefiles, %FASTDEP% shortcuts this.
- for arg
- do
- case $arg in
- -c) set fnord "$@" -MT "$object" -MD -MP -MF "$tmpdepfile" "$arg" ;;
- *) set fnord "$@" "$arg" ;;
- esac
- shift # fnord
- shift # $arg
- done
- "$@"
- stat=$?
- if test $stat -eq 0; then :
- else
- rm -f "$tmpdepfile"
- exit $stat
- fi
- mv "$tmpdepfile" "$depfile"
- ;;
-
-gcc)
-## There are various ways to get dependency output from gcc. Here's
-## why we pick this rather obscure method:
-## - Don't want to use -MD because we'd like the dependencies to end
-## up in a subdir. Having to rename by hand is ugly.
-## (We might end up doing this anyway to support other compilers.)
-## - The DEPENDENCIES_OUTPUT environment variable makes gcc act like
-## -MM, not -M (despite what the docs say).
-## - Using -M directly means running the compiler twice (even worse
-## than renaming).
- if test -z "$gccflag"; then
- gccflag=-MD,
- fi
- "$@" -Wp,"$gccflag$tmpdepfile"
- stat=$?
- if test $stat -eq 0; then :
- else
- rm -f "$tmpdepfile"
- exit $stat
- fi
- rm -f "$depfile"
- echo "$object : \\" > "$depfile"
- alpha=ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz
-## The second -e expression handles DOS-style file names with drive letters.
- sed -e 's/^[^:]*: / /' \
- -e 's/^['$alpha']:\/[^:]*: / /' < "$tmpdepfile" >> "$depfile"
-## This next piece of magic avoids the `deleted header file' problem.
-## The problem is that when a header file which appears in a .P file
-## is deleted, the dependency causes make to die (because there is
-## typically no way to rebuild the header). We avoid this by adding
-## dummy dependencies for each header file. Too bad gcc doesn't do
-## this for us directly.
- tr ' ' '
-' < "$tmpdepfile" |
-## Some versions of gcc put a space before the `:'. On the theory
-## that the space means something, we add a space to the output as
-## well.
-## Some versions of the HPUX 10.20 sed can't process this invocation
-## correctly. Breaking it into two sed invocations is a workaround.
- sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
- rm -f "$tmpdepfile"
- ;;
-
-hp)
- # This case exists only to let depend.m4 do its work. It works by
- # looking at the text of this script. This case will never be run,
- # since it is checked for above.
- exit 1
- ;;
-
-sgi)
- if test "$libtool" = yes; then
- "$@" "-Wp,-MDupdate,$tmpdepfile"
- else
- "$@" -MDupdate "$tmpdepfile"
- fi
- stat=$?
- if test $stat -eq 0; then :
- else
- rm -f "$tmpdepfile"
- exit $stat
- fi
- rm -f "$depfile"
-
- if test -f "$tmpdepfile"; then # yes, the sourcefile depend on other files
- echo "$object : \\" > "$depfile"
-
- # Clip off the initial element (the dependent). Don't try to be
- # clever and replace this with sed code, as IRIX sed won't handle
- # lines with more than a fixed number of characters (4096 in
- # IRIX 6.2 sed, 8192 in IRIX 6.5). We also remove comment lines;
- # the IRIX cc adds comments like `#:fec' to the end of the
- # dependency line.
- tr ' ' '
-' < "$tmpdepfile" \
- | sed -e 's/^.*\.o://' -e 's/#.*$//' -e '/^$/ d' | \
- tr '
-' ' ' >> $depfile
- echo >> $depfile
-
- # The second pass generates a dummy entry for each header file.
- tr ' ' '
-' < "$tmpdepfile" \
- | sed -e 's/^.*\.o://' -e 's/#.*$//' -e '/^$/ d' -e 's/$/:/' \
- >> $depfile
- else
- # The sourcefile does not contain any dependencies, so just
- # store a dummy comment line, to avoid errors with the Makefile
- # "include basename.Plo" scheme.
- echo "#dummy" > "$depfile"
- fi
- rm -f "$tmpdepfile"
- ;;
-
-aix)
- # The C for AIX Compiler uses -M and outputs the dependencies
- # in a .u file. In older versions, this file always lives in the
- # current directory. Also, the AIX compiler puts `$object:' at the
- # start of each line; $object doesn't have directory information.
- # Version 6 uses the directory in both cases.
- dir=`echo "$object" | sed -e 's|/[^/]*$|/|'`
- test "x$dir" = "x$object" && dir=
- base=`echo "$object" | sed -e 's|^.*/||' -e 's/\.o$//' -e 's/\.lo$//'`
- if test "$libtool" = yes; then
- tmpdepfile1=$dir$base.u
- tmpdepfile2=$base.u
- tmpdepfile3=$dir.libs/$base.u
- "$@" -Wc,-M
- else
- tmpdepfile1=$dir$base.u
- tmpdepfile2=$dir$base.u
- tmpdepfile3=$dir$base.u
- "$@" -M
- fi
- stat=$?
-
- if test $stat -eq 0; then :
- else
- rm -f "$tmpdepfile1" "$tmpdepfile2" "$tmpdepfile3"
- exit $stat
- fi
-
- for tmpdepfile in "$tmpdepfile1" "$tmpdepfile2" "$tmpdepfile3"
- do
- test -f "$tmpdepfile" && break
- done
- if test -f "$tmpdepfile"; then
- # Each line is of the form `foo.o: dependent.h'.
- # Do two passes, one to just change these to
- # `$object: dependent.h' and one to simply `dependent.h:'.
- sed -e "s,^.*\.[a-z]*:,$object:," < "$tmpdepfile" > "$depfile"
- # That's a tab and a space in the [].
- sed -e 's,^.*\.[a-z]*:[ ]*,,' -e 's,$,:,' < "$tmpdepfile" >> "$depfile"
- else
- # The sourcefile does not contain any dependencies, so just
- # store a dummy comment line, to avoid errors with the Makefile
- # "include basename.Plo" scheme.
- echo "#dummy" > "$depfile"
- fi
- rm -f "$tmpdepfile"
- ;;
-
-icc)
- # Intel's C compiler understands `-MD -MF file'. However on
- # icc -MD -MF foo.d -c -o sub/foo.o sub/foo.c
- # ICC 7.0 will fill foo.d with something like
- # foo.o: sub/foo.c
- # foo.o: sub/foo.h
- # which is wrong. We want:
- # sub/foo.o: sub/foo.c
- # sub/foo.o: sub/foo.h
- # sub/foo.c:
- # sub/foo.h:
- # ICC 7.1 will output
- # foo.o: sub/foo.c sub/foo.h
- # and will wrap long lines using \ :
- # foo.o: sub/foo.c ... \
- # sub/foo.h ... \
- # ...
-
- "$@" -MD -MF "$tmpdepfile"
- stat=$?
- if test $stat -eq 0; then :
- else
- rm -f "$tmpdepfile"
- exit $stat
- fi
- rm -f "$depfile"
- # Each line is of the form `foo.o: dependent.h',
- # or `foo.o: dep1.h dep2.h \', or ` dep3.h dep4.h \'.
- # Do two passes, one to just change these to
- # `$object: dependent.h' and one to simply `dependent.h:'.
- sed "s,^[^:]*:,$object :," < "$tmpdepfile" > "$depfile"
- # Some versions of the HPUX 10.20 sed can't process this invocation
- # correctly. Breaking it into two sed invocations is a workaround.
- sed 's,^[^:]*: \(.*\)$,\1,;s/^\\$//;/^$/d;/:$/d' < "$tmpdepfile" |
- sed -e 's/$/ :/' >> "$depfile"
- rm -f "$tmpdepfile"
- ;;
-
-hp2)
- # The "hp" stanza above does not work with aCC (C++) and HP's ia64
- # compilers, which have integrated preprocessors. The correct option
- # to use with these is +Maked; it writes dependencies to a file named
- # 'foo.d', which lands next to the object file, wherever that
- # happens to be.
- # Much of this is similar to the tru64 case; see comments there.
- dir=`echo "$object" | sed -e 's|/[^/]*$|/|'`
- test "x$dir" = "x$object" && dir=
- base=`echo "$object" | sed -e 's|^.*/||' -e 's/\.o$//' -e 's/\.lo$//'`
- if test "$libtool" = yes; then
- tmpdepfile1=$dir$base.d
- tmpdepfile2=$dir.libs/$base.d
- "$@" -Wc,+Maked
- else
- tmpdepfile1=$dir$base.d
- tmpdepfile2=$dir$base.d
- "$@" +Maked
- fi
- stat=$?
- if test $stat -eq 0; then :
- else
- rm -f "$tmpdepfile1" "$tmpdepfile2"
- exit $stat
- fi
-
- for tmpdepfile in "$tmpdepfile1" "$tmpdepfile2"
- do
- test -f "$tmpdepfile" && break
- done
- if test -f "$tmpdepfile"; then
- sed -e "s,^.*\.[a-z]*:,$object:," "$tmpdepfile" > "$depfile"
- # Add `dependent.h:' lines.
- sed -ne '2,${; s/^ *//; s/ \\*$//; s/$/:/; p;}' "$tmpdepfile" >> "$depfile"
- else
- echo "#dummy" > "$depfile"
- fi
- rm -f "$tmpdepfile" "$tmpdepfile2"
- ;;
-
-tru64)
- # The Tru64 compiler uses -MD to generate dependencies as a side
- # effect. `cc -MD -o foo.o ...' puts the dependencies into `foo.o.d'.
- # At least on Alpha/Redhat 6.1, Compaq CCC V6.2-504 seems to put
- # dependencies in `foo.d' instead, so we check for that too.
- # Subdirectories are respected.
- dir=`echo "$object" | sed -e 's|/[^/]*$|/|'`
- test "x$dir" = "x$object" && dir=
- base=`echo "$object" | sed -e 's|^.*/||' -e 's/\.o$//' -e 's/\.lo$//'`
-
- if test "$libtool" = yes; then
- # With Tru64 cc, shared objects can also be used to make a
- # static library. This mechanism is used in libtool 1.4 series to
- # handle both shared and static libraries in a single compilation.
- # With libtool 1.4, dependencies were output in $dir.libs/$base.lo.d.
- #
- # With libtool 1.5 this exception was removed, and libtool now
- # generates 2 separate objects for the 2 libraries. These two
- # compilations output dependencies in $dir.libs/$base.o.d and
- # in $dir$base.o.d. We have to check for both files, because
- # one of the two compilations can be disabled. We should prefer
- # $dir$base.o.d over $dir.libs/$base.o.d because the latter is
- # automatically cleaned when .libs/ is deleted, while ignoring
- # the former would cause a distcleancheck panic.
- tmpdepfile1=$dir.libs/$base.lo.d # libtool 1.4
- tmpdepfile2=$dir$base.o.d # libtool 1.5
- tmpdepfile3=$dir.libs/$base.o.d # libtool 1.5
- tmpdepfile4=$dir.libs/$base.d # Compaq CCC V6.2-504
- "$@" -Wc,-MD
- else
- tmpdepfile1=$dir$base.o.d
- tmpdepfile2=$dir$base.d
- tmpdepfile3=$dir$base.d
- tmpdepfile4=$dir$base.d
- "$@" -MD
- fi
-
- stat=$?
- if test $stat -eq 0; then :
- else
- rm -f "$tmpdepfile1" "$tmpdepfile2" "$tmpdepfile3" "$tmpdepfile4"
- exit $stat
- fi
-
- for tmpdepfile in "$tmpdepfile1" "$tmpdepfile2" "$tmpdepfile3" "$tmpdepfile4"
- do
- test -f "$tmpdepfile" && break
- done
- if test -f "$tmpdepfile"; then
- sed -e "s,^.*\.[a-z]*:,$object:," < "$tmpdepfile" > "$depfile"
- # That's a tab and a space in the [].
- sed -e 's,^.*\.[a-z]*:[ ]*,,' -e 's,$,:,' < "$tmpdepfile" >> "$depfile"
- else
- echo "#dummy" > "$depfile"
- fi
- rm -f "$tmpdepfile"
- ;;
-
-#nosideeffect)
- # This comment above is used by automake to tell side-effect
- # dependency tracking mechanisms from slower ones.
-
-dashmstdout)
- # Important note: in order to support this mode, a compiler *must*
- # always write the preprocessed file to stdout, regardless of -o.
- "$@" || exit $?
-
- # Remove the call to Libtool.
- if test "$libtool" = yes; then
- while test $1 != '--mode=compile'; do
- shift
- done
- shift
- fi
-
- # Remove `-o $object'.
- IFS=" "
- for arg
- do
- case $arg in
- -o)
- shift
- ;;
- $object)
- shift
- ;;
- *)
- set fnord "$@" "$arg"
- shift # fnord
- shift # $arg
- ;;
- esac
- done
-
- test -z "$dashmflag" && dashmflag=-M
- # Require at least two characters before searching for `:'
- # in the target name. This is to cope with DOS-style filenames:
- # a dependency such as `c:/foo/bar' could be seen as target `c' otherwise.
- "$@" $dashmflag |
- sed 's:^[ ]*[^: ][^:][^:]*\:[ ]*:'"$object"'\: :' > "$tmpdepfile"
- rm -f "$depfile"
- cat < "$tmpdepfile" > "$depfile"
- tr ' ' '
-' < "$tmpdepfile" | \
-## Some versions of the HPUX 10.20 sed can't process this invocation
-## correctly. Breaking it into two sed invocations is a workaround.
- sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
- rm -f "$tmpdepfile"
- ;;
-
-dashXmstdout)
- # This case only exists to satisfy depend.m4. It is never actually
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- exit 1
- ;;
-
-makedepend)
- "$@" || exit $?
- # Remove any Libtool call
- if test "$libtool" = yes; then
- while test $1 != '--mode=compile'; do
- shift
- done
- shift
- fi
- # X makedepend
- shift
- cleared=no
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- case $cleared in
- no)
- set ""; shift
- cleared=yes ;;
- esac
- case "$arg" in
- -D*|-I*)
- set fnord "$@" "$arg"; shift ;;
- # Strip any option that makedepend may not understand. Remove
- # the object too, otherwise makedepend will parse it as a source file.
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- ;;
- *)
- set fnord "$@" "$arg"; shift ;;
- esac
- done
- obj_suffix="`echo $object | sed 's/^.*\././'`"
- touch "$tmpdepfile"
- ${MAKEDEPEND-makedepend} -o"$obj_suffix" -f"$tmpdepfile" "$@"
- rm -f "$depfile"
- cat < "$tmpdepfile" > "$depfile"
- sed '1,2d' "$tmpdepfile" | tr ' ' '
-' | \
-## Some versions of the HPUX 10.20 sed can't process this invocation
-## correctly. Breaking it into two sed invocations is a workaround.
- sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
- rm -f "$tmpdepfile" "$tmpdepfile".bak
- ;;
-
-cpp)
- # Important note: in order to support this mode, a compiler *must*
- # always write the preprocessed file to stdout.
- "$@" || exit $?
-
- # Remove the call to Libtool.
- if test "$libtool" = yes; then
- while test $1 != '--mode=compile'; do
- shift
- done
- shift
- fi
-
- # Remove `-o $object'.
- IFS=" "
- for arg
- do
- case $arg in
- -o)
- shift
- ;;
- $object)
- shift
- ;;
- *)
- set fnord "$@" "$arg"
- shift # fnord
- shift # $arg
- ;;
- esac
- done
-
- "$@" -E |
- sed -n -e '/^# [0-9][0-9]* "\([^"]*\)".*/ s:: \1 \\:p' \
- -e '/^#line [0-9][0-9]* "\([^"]*\)".*/ s:: \1 \\:p' |
- sed '$ s: \\$::' > "$tmpdepfile"
- rm -f "$depfile"
- echo "$object : \\" > "$depfile"
- cat < "$tmpdepfile" >> "$depfile"
- sed < "$tmpdepfile" '/^$/d;s/^ //;s/ \\$//;s/$/ :/' >> "$depfile"
- rm -f "$tmpdepfile"
- ;;
-
-msvisualcpp)
- # Important note: in order to support this mode, a compiler *must*
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- # because we must use -o when running libtool.
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- case "$arg" in
- "-Gm"|"/Gm"|"-Gi"|"/Gi"|"-ZI"|"/ZI")
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- shift
- shift
- ;;
- *)
- set fnord "$@" "$arg"
- shift
- shift
- ;;
- esac
- done
- "$@" -E |
- sed -n '/^#line [0-9][0-9]* "\([^"]*\)"/ s::echo "`cygpath -u \\"\1\\"`":p' | sort | uniq > "$tmpdepfile"
- rm -f "$depfile"
- echo "$object : \\" > "$depfile"
- . "$tmpdepfile" | sed 's% %\\ %g' | sed -n '/^\(.*\)$/ s:: \1 \\:p' >> "$depfile"
- echo " " >> "$depfile"
- . "$tmpdepfile" | sed 's% %\\ %g' | sed -n '/^\(.*\)$/ s::\1\::p' >> "$depfile"
- rm -f "$tmpdepfile"
- ;;
-
-none)
- exec "$@"
- ;;
-
-*)
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- exit 1
- ;;
-esac
-
-exit 0
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diff --git a/install-sh b/install-sh
deleted file mode 100755
index a5897de6..00000000
--- a/install-sh
+++ /dev/null
@@ -1,519 +0,0 @@
-#!/bin/sh
-# install - install a program, script, or datafile
-
-scriptversion=2006-12-25.00
-
-# This originates from X11R5 (mit/util/scripts/install.sh), which was
-# later released in X11R6 (xc/config/util/install.sh) with the
-# following copyright and license.
-#
-# Copyright (C) 1994 X Consortium
-#
-# Permission is hereby granted, free of charge, to any person obtaining a copy
-# of this software and associated documentation files (the "Software"), to
-# deal in the Software without restriction, including without limitation the
-# rights to use, copy, modify, merge, publish, distribute, sublicense, and/or
-# sell copies of the Software, and to permit persons to whom the Software is
-# furnished to do so, subject to the following conditions:
-#
-# The above copyright notice and this permission notice shall be included in
-# all copies or substantial portions of the Software.
-#
-# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
-# X CONSORTIUM BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN
-# AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNEC-
-# TION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
-#
-# Except as contained in this notice, the name of the X Consortium shall not
-# be used in advertising or otherwise to promote the sale, use or other deal-
-# ings in this Software without prior written authorization from the X Consor-
-# tium.
-#
-#
-# FSF changes to this file are in the public domain.
-#
-# Calling this script install-sh is preferred over install.sh, to prevent
-# `make' implicit rules from creating a file called install from it
-# when there is no Makefile.
-#
-# This script is compatible with the BSD install script, but was written
-# from scratch.
-
-nl='
-'
-IFS=" "" $nl"
-
-# set DOITPROG to echo to test this script
-
-# Don't use :- since 4.3BSD and earlier shells don't like it.
-doit=${DOITPROG-}
-if test -z "$doit"; then
- doit_exec=exec
-else
- doit_exec=$doit
-fi
-
-# Put in absolute file names if you don't have them in your path;
-# or use environment vars.
-
-chgrpprog=${CHGRPPROG-chgrp}
-chmodprog=${CHMODPROG-chmod}
-chownprog=${CHOWNPROG-chown}
-cmpprog=${CMPPROG-cmp}
-cpprog=${CPPROG-cp}
-mkdirprog=${MKDIRPROG-mkdir}
-mvprog=${MVPROG-mv}
-rmprog=${RMPROG-rm}
-stripprog=${STRIPPROG-strip}
-
-posix_glob='?'
-initialize_posix_glob='
- test "$posix_glob" != "?" || {
- if (set -f) 2>/dev/null; then
- posix_glob=
- else
- posix_glob=:
- fi
- }
-'
-
-posix_mkdir=
-
-# Desired mode of installed file.
-mode=0755
-
-chgrpcmd=
-chmodcmd=$chmodprog
-chowncmd=
-mvcmd=$mvprog
-rmcmd="$rmprog -f"
-stripcmd=
-
-src=
-dst=
-dir_arg=
-dst_arg=
-
-copy_on_change=false
-no_target_directory=
-
-usage="\
-Usage: $0 [OPTION]... [-T] SRCFILE DSTFILE
- or: $0 [OPTION]... SRCFILES... DIRECTORY
- or: $0 [OPTION]... -t DIRECTORY SRCFILES...
- or: $0 [OPTION]... -d DIRECTORIES...
-
-In the 1st form, copy SRCFILE to DSTFILE.
-In the 2nd and 3rd, copy all SRCFILES to DIRECTORY.
-In the 4th, create DIRECTORIES.
-
-Options:
- --help display this help and exit.
- --version display version info and exit.
-
- -c (ignored)
- -C install only if different (preserve the last data modification time)
- -d create directories instead of installing files.
- -g GROUP $chgrpprog installed files to GROUP.
- -m MODE $chmodprog installed files to MODE.
- -o USER $chownprog installed files to USER.
- -s $stripprog installed files.
- -t DIRECTORY install into DIRECTORY.
- -T report an error if DSTFILE is a directory.
-
-Environment variables override the default commands:
- CHGRPPROG CHMODPROG CHOWNPROG CMPPROG CPPROG MKDIRPROG MVPROG
- RMPROG STRIPPROG
-"
-
-while test $# -ne 0; do
- case $1 in
- -c) ;;
-
- -C) copy_on_change=true;;
-
- -d) dir_arg=true;;
-
- -g) chgrpcmd="$chgrpprog $2"
- shift;;
-
- --help) echo "$usage"; exit $?;;
-
- -m) mode=$2
- case $mode in
- *' '* | *' '* | *'
-'* | *'*'* | *'?'* | *'['*)
- echo "$0: invalid mode: $mode" >&2
- exit 1;;
- esac
- shift;;
-
- -o) chowncmd="$chownprog $2"
- shift;;
-
- -s) stripcmd=$stripprog;;
-
- -t) dst_arg=$2
- shift;;
-
- -T) no_target_directory=true;;
-
- --version) echo "$0 $scriptversion"; exit $?;;
-
- --) shift
- break;;
-
- -*) echo "$0: invalid option: $1" >&2
- exit 1;;
-
- *) break;;
- esac
- shift
-done
-
-if test $# -ne 0 && test -z "$dir_arg$dst_arg"; then
- # When -d is used, all remaining arguments are directories to create.
- # When -t is used, the destination is already specified.
- # Otherwise, the last argument is the destination. Remove it from $@.
- for arg
- do
- if test -n "$dst_arg"; then
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- set fnord "$@" "$dst_arg"
- shift # fnord
- fi
- shift # arg
- dst_arg=$arg
- done
-fi
-
-if test $# -eq 0; then
- if test -z "$dir_arg"; then
- echo "$0: no input file specified." >&2
- exit 1
- fi
- # It's OK to call `install-sh -d' without argument.
- # This can happen when creating conditional directories.
- exit 0
-fi
-
-if test -z "$dir_arg"; then
- trap '(exit $?); exit' 1 2 13 15
-
- # Set umask so as not to create temps with too-generous modes.
- # However, 'strip' requires both read and write access to temps.
- case $mode in
- # Optimize common cases.
- *644) cp_umask=133;;
- *755) cp_umask=22;;
-
- *[0-7])
- if test -z "$stripcmd"; then
- u_plus_rw=
- else
- u_plus_rw='% 200'
- fi
- cp_umask=`expr '(' 777 - $mode % 1000 ')' $u_plus_rw`;;
- *)
- if test -z "$stripcmd"; then
- u_plus_rw=
- else
- u_plus_rw=,u+rw
- fi
- cp_umask=$mode$u_plus_rw;;
- esac
-fi
-
-for src
-do
- # Protect names starting with `-'.
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- -*) src=./$src;;
- esac
-
- if test -n "$dir_arg"; then
- dst=$src
- dstdir=$dst
- test -d "$dstdir"
- dstdir_status=$?
- else
-
- # Waiting for this to be detected by the "$cpprog $src $dsttmp" command
- # might cause directories to be created, which would be especially bad
- # if $src (and thus $dsttmp) contains '*'.
- if test ! -f "$src" && test ! -d "$src"; then
- echo "$0: $src does not exist." >&2
- exit 1
- fi
-
- if test -z "$dst_arg"; then
- echo "$0: no destination specified." >&2
- exit 1
- fi
-
- dst=$dst_arg
- # Protect names starting with `-'.
- case $dst in
- -*) dst=./$dst;;
- esac
-
- # If destination is a directory, append the input filename; won't work
- # if double slashes aren't ignored.
- if test -d "$dst"; then
- if test -n "$no_target_directory"; then
- echo "$0: $dst_arg: Is a directory" >&2
- exit 1
- fi
- dstdir=$dst
- dst=$dstdir/`basename "$src"`
- dstdir_status=0
- else
- # Prefer dirname, but fall back on a substitute if dirname fails.
- dstdir=`
- (dirname "$dst") 2>/dev/null ||
- expr X"$dst" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
- X"$dst" : 'X\(//\)[^/]' \| \
- X"$dst" : 'X\(//\)$' \| \
- X"$dst" : 'X\(/\)' \| . 2>/dev/null ||
- echo X"$dst" |
- sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{
- s//\1/
- q
- }
- /^X\(\/\/\)[^/].*/{
- s//\1/
- q
- }
- /^X\(\/\/\)$/{
- s//\1/
- q
- }
- /^X\(\/\).*/{
- s//\1/
- q
- }
- s/.*/./; q'
- `
-
- test -d "$dstdir"
- dstdir_status=$?
- fi
- fi
-
- obsolete_mkdir_used=false
-
- if test $dstdir_status != 0; then
- case $posix_mkdir in
- '')
- # Create intermediate dirs using mode 755 as modified by the umask.
- # This is like FreeBSD 'install' as of 1997-10-28.
- umask=`umask`
- case $stripcmd.$umask in
- # Optimize common cases.
- *[2367][2367]) mkdir_umask=$umask;;
- .*0[02][02] | .[02][02] | .[02]) mkdir_umask=22;;
-
- *[0-7])
- mkdir_umask=`expr $umask + 22 \
- - $umask % 100 % 40 + $umask % 20 \
- - $umask % 10 % 4 + $umask % 2
- `;;
- *) mkdir_umask=$umask,go-w;;
- esac
-
- # With -d, create the new directory with the user-specified mode.
- # Otherwise, rely on $mkdir_umask.
- if test -n "$dir_arg"; then
- mkdir_mode=-m$mode
- else
- mkdir_mode=
- fi
-
- posix_mkdir=false
- case $umask in
- *[123567][0-7][0-7])
- # POSIX mkdir -p sets u+wx bits regardless of umask, which
- # is incompatible with FreeBSD 'install' when (umask & 300) != 0.
- ;;
- *)
- tmpdir=${TMPDIR-/tmp}/ins$RANDOM-$$
- trap 'ret=$?; rmdir "$tmpdir/d" "$tmpdir" 2>/dev/null; exit $ret' 0
-
- if (umask $mkdir_umask &&
- exec $mkdirprog $mkdir_mode -p -- "$tmpdir/d") >/dev/null 2>&1
- then
- if test -z "$dir_arg" || {
- # Check for POSIX incompatibilities with -m.
- # HP-UX 11.23 and IRIX 6.5 mkdir -m -p sets group- or
- # other-writeable bit of parent directory when it shouldn't.
- # FreeBSD 6.1 mkdir -m -p sets mode of existing directory.
- ls_ld_tmpdir=`ls -ld "$tmpdir"`
- case $ls_ld_tmpdir in
- d????-?r-*) different_mode=700;;
- d????-?--*) different_mode=755;;
- *) false;;
- esac &&
- $mkdirprog -m$different_mode -p -- "$tmpdir" && {
- ls_ld_tmpdir_1=`ls -ld "$tmpdir"`
- test "$ls_ld_tmpdir" = "$ls_ld_tmpdir_1"
- }
- }
- then posix_mkdir=:
- fi
- rmdir "$tmpdir/d" "$tmpdir"
- else
- # Remove any dirs left behind by ancient mkdir implementations.
- rmdir ./$mkdir_mode ./-p ./-- 2>/dev/null
- fi
- trap '' 0;;
- esac;;
- esac
-
- if
- $posix_mkdir && (
- umask $mkdir_umask &&
- $doit_exec $mkdirprog $mkdir_mode -p -- "$dstdir"
- )
- then :
- else
-
- # The umask is ridiculous, or mkdir does not conform to POSIX,
- # or it failed possibly due to a race condition. Create the
- # directory the slow way, step by step, checking for races as we go.
-
- case $dstdir in
- /*) prefix='/';;
- -*) prefix='./';;
- *) prefix='';;
- esac
-
- eval "$initialize_posix_glob"
-
- oIFS=$IFS
- IFS=/
- $posix_glob set -f
- set fnord $dstdir
- shift
- $posix_glob set +f
- IFS=$oIFS
-
- prefixes=
-
- for d
- do
- test -z "$d" && continue
-
- prefix=$prefix$d
- if test -d "$prefix"; then
- prefixes=
- else
- if $posix_mkdir; then
- (umask=$mkdir_umask &&
- $doit_exec $mkdirprog $mkdir_mode -p -- "$dstdir") && break
- # Don't fail if two instances are running concurrently.
- test -d "$prefix" || exit 1
- else
- case $prefix in
- *\'*) qprefix=`echo "$prefix" | sed "s/'/'\\\\\\\\''/g"`;;
- *) qprefix=$prefix;;
- esac
- prefixes="$prefixes '$qprefix'"
- fi
- fi
- prefix=$prefix/
- done
-
- if test -n "$prefixes"; then
- # Don't fail if two instances are running concurrently.
- (umask $mkdir_umask &&
- eval "\$doit_exec \$mkdirprog $prefixes") ||
- test -d "$dstdir" || exit 1
- obsolete_mkdir_used=true
- fi
- fi
- fi
-
- if test -n "$dir_arg"; then
- { test -z "$chowncmd" || $doit $chowncmd "$dst"; } &&
- { test -z "$chgrpcmd" || $doit $chgrpcmd "$dst"; } &&
- { test "$obsolete_mkdir_used$chowncmd$chgrpcmd" = false ||
- test -z "$chmodcmd" || $doit $chmodcmd $mode "$dst"; } || exit 1
- else
-
- # Make a couple of temp file names in the proper directory.
- dsttmp=$dstdir/_inst.$$_
- rmtmp=$dstdir/_rm.$$_
-
- # Trap to clean up those temp files at exit.
- trap 'ret=$?; rm -f "$dsttmp" "$rmtmp" && exit $ret' 0
-
- # Copy the file name to the temp name.
- (umask $cp_umask && $doit_exec $cpprog "$src" "$dsttmp") &&
-
- # and set any options; do chmod last to preserve setuid bits.
- #
- # If any of these fail, we abort the whole thing. If we want to
- # ignore errors from any of these, just make sure not to ignore
- # errors from the above "$doit $cpprog $src $dsttmp" command.
- #
- { test -z "$chowncmd" || $doit $chowncmd "$dsttmp"; } &&
- { test -z "$chgrpcmd" || $doit $chgrpcmd "$dsttmp"; } &&
- { test -z "$stripcmd" || $doit $stripcmd "$dsttmp"; } &&
- { test -z "$chmodcmd" || $doit $chmodcmd $mode "$dsttmp"; } &&
-
- # If -C, don't bother to copy if it wouldn't change the file.
- if $copy_on_change &&
- old=`LC_ALL=C ls -dlL "$dst" 2>/dev/null` &&
- new=`LC_ALL=C ls -dlL "$dsttmp" 2>/dev/null` &&
-
- eval "$initialize_posix_glob" &&
- $posix_glob set -f &&
- set X $old && old=:$2:$4:$5:$6 &&
- set X $new && new=:$2:$4:$5:$6 &&
- $posix_glob set +f &&
-
- test "$old" = "$new" &&
- $cmpprog "$dst" "$dsttmp" >/dev/null 2>&1
- then
- rm -f "$dsttmp"
- else
- # Rename the file to the real destination.
- $doit $mvcmd -f "$dsttmp" "$dst" 2>/dev/null ||
-
- # The rename failed, perhaps because mv can't rename something else
- # to itself, or perhaps because mv is so ancient that it does not
- # support -f.
- {
- # Now remove or move aside any old file at destination location.
- # We try this two ways since rm can't unlink itself on some
- # systems and the destination file might be busy for other
- # reasons. In this case, the final cleanup might fail but the new
- # file should still install successfully.
- {
- test ! -f "$dst" ||
- $doit $rmcmd -f "$dst" 2>/dev/null ||
- { $doit $mvcmd -f "$dst" "$rmtmp" 2>/dev/null &&
- { $doit $rmcmd -f "$rmtmp" 2>/dev/null; :; }
- } ||
- { echo "$0: cannot unlink or rename $dst" >&2
- (exit 1); exit 1
- }
- } &&
-
- # Now rename the file to the real destination.
- $doit $mvcmd "$dsttmp" "$dst"
- }
- fi || exit 1
-
- trap '' 0
- fi
-done
-
-# Local variables:
-# eval: (add-hook 'write-file-hooks 'time-stamp)
-# time-stamp-start: "scriptversion="
-# time-stamp-format: "%:y-%02m-%02d.%02H"
-# time-stamp-end: "$"
-# End:
diff --git a/m4/m4_ax_boost_base.m4 b/m4/m4_ax_boost_base.m4
new file mode 100644
index 00000000..54a2a1be
--- /dev/null
+++ b/m4/m4_ax_boost_base.m4
@@ -0,0 +1,258 @@
+# ===========================================================================
+# http://www.gnu.org/software/autoconf-archive/ax_boost_base.html
+# ===========================================================================
+#
+# SYNOPSIS
+#
+# AX_BOOST_BASE([MINIMUM-VERSION], [ACTION-IF-FOUND], [ACTION-IF-NOT-FOUND])
+#
+# DESCRIPTION
+#
+# Test for the Boost C++ libraries of a particular version (or newer)
+#
+# If no path to the installed boost library is given the macro searchs
+# under /usr, /usr/local, /opt and /opt/local and evaluates the
+# $BOOST_ROOT environment variable. Further documentation is available at
+# .
+#
+# This macro calls:
+#
+# AC_SUBST(BOOST_CPPFLAGS) / AC_SUBST(BOOST_LDFLAGS)
+#
+# And sets:
+#
+# HAVE_BOOST
+#
+# LICENSE
+#
+# Copyright (c) 2008 Thomas Porschberg
+# Copyright (c) 2009 Peter Adolphs
+#
+# Copying and distribution of this file, with or without modification, are
+# permitted in any medium without royalty provided the copyright notice
+# and this notice are preserved. This file is offered as-is, without any
+# warranty.
+
+#serial 20
+
+AC_DEFUN([AX_BOOST_BASE],
+[
+AC_ARG_WITH([boost],
+ [AS_HELP_STRING([--with-boost@<:@=ARG@:>@],
+ [use Boost library from a standard location (ARG=yes),
+ from the specified location (ARG=),
+ or disable it (ARG=no)
+ @<:@ARG=yes@:>@ ])],
+ [
+ if test "$withval" = "no"; then
+ want_boost="no"
+ elif test "$withval" = "yes"; then
+ want_boost="yes"
+ ac_boost_path=""
+ else
+ want_boost="yes"
+ ac_boost_path="$withval"
+ fi
+ ],
+ [want_boost="yes"])
+
+
+AC_ARG_WITH([boost-libdir],
+ AS_HELP_STRING([--with-boost-libdir=LIB_DIR],
+ [Force given directory for boost libraries. Note that this will override library path detection, so use this parameter only if default library detection fails and you know exactly where your boost libraries are located.]),
+ [
+ if test -d "$withval"
+ then
+ ac_boost_lib_path="$withval"
+ else
+ AC_MSG_ERROR(--with-boost-libdir expected directory name)
+ fi
+ ],
+ [ac_boost_lib_path=""]
+)
+
+if test "x$want_boost" = "xyes"; then
+ boost_lib_version_req=ifelse([$1], ,1.20.0,$1)
+ boost_lib_version_req_shorten=`expr $boost_lib_version_req : '\([[0-9]]*\.[[0-9]]*\)'`
+ boost_lib_version_req_major=`expr $boost_lib_version_req : '\([[0-9]]*\)'`
+ boost_lib_version_req_minor=`expr $boost_lib_version_req : '[[0-9]]*\.\([[0-9]]*\)'`
+ boost_lib_version_req_sub_minor=`expr $boost_lib_version_req : '[[0-9]]*\.[[0-9]]*\.\([[0-9]]*\)'`
+ if test "x$boost_lib_version_req_sub_minor" = "x" ; then
+ boost_lib_version_req_sub_minor="0"
+ fi
+ WANT_BOOST_VERSION=`expr $boost_lib_version_req_major \* 100000 \+ $boost_lib_version_req_minor \* 100 \+ $boost_lib_version_req_sub_minor`
+ AC_MSG_CHECKING(for boostlib >= $boost_lib_version_req)
+ succeeded=no
+
+ dnl On 64-bit systems check for system libraries in both lib64 and lib.
+ dnl The former is specified by FHS, but e.g. Debian does not adhere to
+ dnl this (as it rises problems for generic multi-arch support).
+ dnl The last entry in the list is chosen by default when no libraries
+ dnl are found, e.g. when only header-only libraries are installed!
+ libsubdirs="lib"
+ ax_arch=`uname -m`
+ if test $ax_arch = x86_64 -o $ax_arch = ppc64 -o $ax_arch = s390x -o $ax_arch = sparc64; then
+ libsubdirs="lib64 lib lib64"
+ fi
+
+ dnl first we check the system location for boost libraries
+ dnl this location ist chosen if boost libraries are installed with the --layout=system option
+ dnl or if you install boost with RPM
+ if test "$ac_boost_path" != ""; then
+ BOOST_CPPFLAGS="-I$ac_boost_path/include"
+ for ac_boost_path_tmp in $libsubdirs; do
+ if test -d "$ac_boost_path"/"$ac_boost_path_tmp" ; then
+ BOOST_LDFLAGS="-L$ac_boost_path/$ac_boost_path_tmp"
+ break
+ fi
+ done
+ elif test "$cross_compiling" != yes; then
+ for ac_boost_path_tmp in /usr /usr/local /opt /opt/local ; do
+ if test -d "$ac_boost_path_tmp/include/boost" && test -r "$ac_boost_path_tmp/include/boost"; then
+ for libsubdir in $libsubdirs ; do
+ if ls "$ac_boost_path_tmp/$libsubdir/libboost_"* >/dev/null 2>&1 ; then break; fi
+ done
+ BOOST_LDFLAGS="-L$ac_boost_path_tmp/$libsubdir"
+ BOOST_CPPFLAGS="-I$ac_boost_path_tmp/include"
+ break;
+ fi
+ done
+ fi
+
+ dnl overwrite ld flags if we have required special directory with
+ dnl --with-boost-libdir parameter
+ if test "$ac_boost_lib_path" != ""; then
+ BOOST_LDFLAGS="-L$ac_boost_lib_path"
+ fi
+
+ CPPFLAGS_SAVED="$CPPFLAGS"
+ CPPFLAGS="$CPPFLAGS $BOOST_CPPFLAGS"
+ export CPPFLAGS
+
+ LDFLAGS_SAVED="$LDFLAGS"
+ LDFLAGS="$LDFLAGS $BOOST_LDFLAGS"
+ export LDFLAGS
+
+ AC_REQUIRE([AC_PROG_CXX])
+ AC_LANG_PUSH(C++)
+ AC_COMPILE_IFELSE([AC_LANG_PROGRAM([[
+ @%:@include
+ ]], [[
+ #if BOOST_VERSION >= $WANT_BOOST_VERSION
+ // Everything is okay
+ #else
+ # error Boost version is too old
+ #endif
+ ]])],[
+ AC_MSG_RESULT(yes)
+ succeeded=yes
+ found_system=yes
+ ],[
+ ])
+ AC_LANG_POP([C++])
+
+
+
+ dnl if we found no boost with system layout we search for boost libraries
+ dnl built and installed without the --layout=system option or for a staged(not installed) version
+ if test "x$succeeded" != "xyes"; then
+ _version=0
+ if test "$ac_boost_path" != ""; then
+ if test -d "$ac_boost_path" && test -r "$ac_boost_path"; then
+ for i in `ls -d $ac_boost_path/include/boost-* 2>/dev/null`; do
+ _version_tmp=`echo $i | sed "s#$ac_boost_path##" | sed 's/\/include\/boost-//' | sed 's/_/./'`
+ V_CHECK=`expr $_version_tmp \> $_version`
+ if test "$V_CHECK" = "1" ; then
+ _version=$_version_tmp
+ fi
+ VERSION_UNDERSCORE=`echo $_version | sed 's/\./_/'`
+ BOOST_CPPFLAGS="-I$ac_boost_path/include/boost-$VERSION_UNDERSCORE"
+ done
+ fi
+ else
+ if test "$cross_compiling" != yes; then
+ for ac_boost_path in /usr /usr/local /opt /opt/local ; do
+ if test -d "$ac_boost_path" && test -r "$ac_boost_path"; then
+ for i in `ls -d $ac_boost_path/include/boost-* 2>/dev/null`; do
+ _version_tmp=`echo $i | sed "s#$ac_boost_path##" | sed 's/\/include\/boost-//' | sed 's/_/./'`
+ V_CHECK=`expr $_version_tmp \> $_version`
+ if test "$V_CHECK" = "1" ; then
+ _version=$_version_tmp
+ best_path=$ac_boost_path
+ fi
+ done
+ fi
+ done
+
+ VERSION_UNDERSCORE=`echo $_version | sed 's/\./_/'`
+ BOOST_CPPFLAGS="-I$best_path/include/boost-$VERSION_UNDERSCORE"
+ if test "$ac_boost_lib_path" = ""; then
+ for libsubdir in $libsubdirs ; do
+ if ls "$best_path/$libsubdir/libboost_"* >/dev/null 2>&1 ; then break; fi
+ done
+ BOOST_LDFLAGS="-L$best_path/$libsubdir"
+ fi
+ fi
+
+ if test "x$BOOST_ROOT" != "x"; then
+ for libsubdir in $libsubdirs ; do
+ if ls "$BOOST_ROOT/stage/$libsubdir/libboost_"* >/dev/null 2>&1 ; then break; fi
+ done
+ if test -d "$BOOST_ROOT" && test -r "$BOOST_ROOT" && test -d "$BOOST_ROOT/stage/$libsubdir" && test -r "$BOOST_ROOT/stage/$libsubdir"; then
+ version_dir=`expr //$BOOST_ROOT : '.*/\(.*\)'`
+ stage_version=`echo $version_dir | sed 's/boost_//' | sed 's/_/./g'`
+ stage_version_shorten=`expr $stage_version : '\([[0-9]]*\.[[0-9]]*\)'`
+ V_CHECK=`expr $stage_version_shorten \>\= $_version`
+ if test "$V_CHECK" = "1" -a "$ac_boost_lib_path" = "" ; then
+ AC_MSG_NOTICE(We will use a staged boost library from $BOOST_ROOT)
+ BOOST_CPPFLAGS="-I$BOOST_ROOT"
+ BOOST_LDFLAGS="-L$BOOST_ROOT/stage/$libsubdir"
+ fi
+ fi
+ fi
+ fi
+
+ CPPFLAGS="$CPPFLAGS $BOOST_CPPFLAGS"
+ export CPPFLAGS
+ LDFLAGS="$LDFLAGS $BOOST_LDFLAGS"
+ export LDFLAGS
+
+ AC_LANG_PUSH(C++)
+ AC_COMPILE_IFELSE([AC_LANG_PROGRAM([[
+ @%:@include
+ ]], [[
+ #if BOOST_VERSION >= $WANT_BOOST_VERSION
+ // Everything is okay
+ #else
+ # error Boost version is too old
+ #endif
+ ]])],[
+ AC_MSG_RESULT(yes)
+ succeeded=yes
+ found_system=yes
+ ],[
+ ])
+ AC_LANG_POP([C++])
+ fi
+
+ if test "$succeeded" != "yes" ; then
+ if test "$_version" = "0" ; then
+ AC_MSG_NOTICE([[We could not detect the boost libraries (version $boost_lib_version_req_shorten or higher). If you have a staged boost library (still not installed) please specify \$BOOST_ROOT in your environment and do not give a PATH to --with-boost option. If you are sure you have boost installed, then check your version number looking in . See http://randspringer.de/boost for more documentation.]])
+ else
+ AC_MSG_NOTICE([Your boost libraries seems to old (version $_version).])
+ fi
+ # execute ACTION-IF-NOT-FOUND (if present):
+ ifelse([$3], , :, [$3])
+ else
+ AC_SUBST(BOOST_CPPFLAGS)
+ AC_SUBST(BOOST_LDFLAGS)
+ AC_DEFINE(HAVE_BOOST,,[define if the Boost library is available])
+ # execute ACTION-IF-FOUND (if present):
+ ifelse([$2], , :, [$2])
+ fi
+
+ CPPFLAGS="$CPPFLAGS_SAVED"
+ LDFLAGS="$LDFLAGS_SAVED"
+fi
+
+])
diff --git a/m4/m4_ax_cxx_compile_stdcxx.m4 b/m4/m4_ax_cxx_compile_stdcxx.m4
new file mode 100644
index 00000000..2c18e49c
--- /dev/null
+++ b/m4/m4_ax_cxx_compile_stdcxx.m4
@@ -0,0 +1,562 @@
+# ===========================================================================
+# http://www.gnu.org/software/autoconf-archive/ax_cxx_compile_stdcxx.html
+# ===========================================================================
+#
+# SYNOPSIS
+#
+# AX_CXX_COMPILE_STDCXX(VERSION, [ext|noext], [mandatory|optional])
+#
+# DESCRIPTION
+#
+# Check for baseline language coverage in the compiler for the specified
+# version of the C++ standard. If necessary, add switches to CXX and
+# CXXCPP to enable support. VERSION may be '11' (for the C++11 standard)
+# or '14' (for the C++14 standard).
+#
+# The second argument, if specified, indicates whether you insist on an
+# extended mode (e.g. -std=gnu++11) or a strict conformance mode (e.g.
+# -std=c++11). If neither is specified, you get whatever works, with
+# preference for an extended mode.
+#
+# The third argument, if specified 'mandatory' or if left unspecified,
+# indicates that baseline support for the specified C++ standard is
+# required and that the macro should error out if no mode with that
+# support is found. If specified 'optional', then configuration proceeds
+# regardless, after defining HAVE_CXX${VERSION} if and only if a
+# supporting mode is found.
+#
+# LICENSE
+#
+# Copyright (c) 2008 Benjamin Kosnik
+# Copyright (c) 2012 Zack Weinberg
+# Copyright (c) 2013 Roy Stogner
+# Copyright (c) 2014, 2015 Google Inc.; contributed by Alexey Sokolov
+# Copyright (c) 2015 Paul Norman
+# Copyright (c) 2015 Moritz Klammler
+#
+# Copying and distribution of this file, with or without modification, are
+# permitted in any medium without royalty provided the copyright notice
+# and this notice are preserved. This file is offered as-is, without any
+# warranty.
+
+#serial 4
+
+dnl This macro is based on the code from the AX_CXX_COMPILE_STDCXX_11 macro
+dnl (serial version number 13).
+
+AC_DEFUN([AX_CXX_COMPILE_STDCXX], [dnl
+ m4_if([$1], [11], [],
+ [$1], [14], [],
+ [$1], [17], [m4_fatal([support for C++17 not yet implemented in AX_CXX_COMPILE_STDCXX])],
+ [m4_fatal([invalid first argument `$1' to AX_CXX_COMPILE_STDCXX])])dnl
+ m4_if([$2], [], [],
+ [$2], [ext], [],
+ [$2], [noext], [],
+ [m4_fatal([invalid second argument `$2' to AX_CXX_COMPILE_STDCXX])])dnl
+ m4_if([$3], [], [ax_cxx_compile_cxx$1_required=true],
+ [$3], [mandatory], [ax_cxx_compile_cxx$1_required=true],
+ [$3], [optional], [ax_cxx_compile_cxx$1_required=false],
+ [m4_fatal([invalid third argument `$3' to AX_CXX_COMPILE_STDCXX])])
+ AC_LANG_PUSH([C++])dnl
+ ac_success=no
+ AC_CACHE_CHECK(whether $CXX supports C++$1 features by default,
+ ax_cv_cxx_compile_cxx$1,
+ [AC_COMPILE_IFELSE([AC_LANG_SOURCE([_AX_CXX_COMPILE_STDCXX_testbody_$1])],
+ [ax_cv_cxx_compile_cxx$1=yes],
+ [ax_cv_cxx_compile_cxx$1=no])])
+ if test x$ax_cv_cxx_compile_cxx$1 = xyes; then
+ ac_success=yes
+ fi
+
+ m4_if([$2], [noext], [], [dnl
+ if test x$ac_success = xno; then
+ for switch in -std=gnu++$1 -std=gnu++0x; do
+ cachevar=AS_TR_SH([ax_cv_cxx_compile_cxx$1_$switch])
+ AC_CACHE_CHECK(whether $CXX supports C++$1 features with $switch,
+ $cachevar,
+ [ac_save_CXX="$CXX"
+ CXX="$CXX $switch"
+ AC_COMPILE_IFELSE([AC_LANG_SOURCE([_AX_CXX_COMPILE_STDCXX_testbody_$1])],
+ [eval $cachevar=yes],
+ [eval $cachevar=no])
+ CXX="$ac_save_CXX"])
+ if eval test x\$$cachevar = xyes; then
+ CXX="$CXX $switch"
+ if test -n "$CXXCPP" ; then
+ CXXCPP="$CXXCPP $switch"
+ fi
+ ac_success=yes
+ break
+ fi
+ done
+ fi])
+
+ m4_if([$2], [ext], [], [dnl
+ if test x$ac_success = xno; then
+ dnl HP's aCC needs +std=c++11 according to:
+ dnl http://h21007.www2.hp.com/portal/download/files/unprot/aCxx/PDF_Release_Notes/769149-001.pdf
+ dnl Cray's crayCC needs "-h std=c++11"
+ for switch in -std=c++$1 -std=c++0x +std=c++$1 "-h std=c++$1"; do
+ cachevar=AS_TR_SH([ax_cv_cxx_compile_cxx$1_$switch])
+ AC_CACHE_CHECK(whether $CXX supports C++$1 features with $switch,
+ $cachevar,
+ [ac_save_CXX="$CXX"
+ CXX="$CXX $switch"
+ AC_COMPILE_IFELSE([AC_LANG_SOURCE([_AX_CXX_COMPILE_STDCXX_testbody_$1])],
+ [eval $cachevar=yes],
+ [eval $cachevar=no])
+ CXX="$ac_save_CXX"])
+ if eval test x\$$cachevar = xyes; then
+ CXX="$CXX $switch"
+ if test -n "$CXXCPP" ; then
+ CXXCPP="$CXXCPP $switch"
+ fi
+ ac_success=yes
+ break
+ fi
+ done
+ fi])
+ AC_LANG_POP([C++])
+ if test x$ax_cxx_compile_cxx$1_required = xtrue; then
+ if test x$ac_success = xno; then
+ AC_MSG_ERROR([*** A compiler with support for C++$1 language features is required.])
+ fi
+ fi
+ if test x$ac_success = xno; then
+ HAVE_CXX$1=0
+ AC_MSG_NOTICE([No compiler with C++$1 support was found])
+ else
+ HAVE_CXX$1=1
+ AC_DEFINE(HAVE_CXX$1,1,
+ [define if the compiler supports basic C++$1 syntax])
+ fi
+ AC_SUBST(HAVE_CXX$1)
+])
+
+
+dnl Test body for checking C++11 support
+
+m4_define([_AX_CXX_COMPILE_STDCXX_testbody_11],
+ _AX_CXX_COMPILE_STDCXX_testbody_new_in_11
+)
+
+
+dnl Test body for checking C++14 support
+
+m4_define([_AX_CXX_COMPILE_STDCXX_testbody_14],
+ _AX_CXX_COMPILE_STDCXX_testbody_new_in_11
+ _AX_CXX_COMPILE_STDCXX_testbody_new_in_14
+)
+
+
+dnl Tests for new features in C++11
+
+m4_define([_AX_CXX_COMPILE_STDCXX_testbody_new_in_11], [[
+
+// If the compiler admits that it is not ready for C++11, why torture it?
+// Hopefully, this will speed up the test.
+
+#ifndef __cplusplus
+
+#error "This is not a C++ compiler"
+
+#elif __cplusplus < 201103L
+
+#error "This is not a C++11 compiler"
+
+#else
+
+namespace cxx11
+{
+
+ namespace test_static_assert
+ {
+
+ template
+ struct check
+ {
+ static_assert(sizeof(int) <= sizeof(T), "not big enough");
+ };
+
+ }
+
+ namespace test_final_override
+ {
+
+ struct Base
+ {
+ virtual void f() {}
+ };
+
+ struct Derived : public Base
+ {
+ virtual void f() override {}
+ };
+
+ }
+
+ namespace test_double_right_angle_brackets
+ {
+
+ template < typename T >
+ struct check {};
+
+ typedef check single_type;
+ typedef check> double_type;
+ typedef check>> triple_type;
+ typedef check>>> quadruple_type;
+
+ }
+
+ namespace test_decltype
+ {
+
+ int
+ f()
+ {
+ int a = 1;
+ decltype(a) b = 2;
+ return a + b;
+ }
+
+ }
+
+ namespace test_type_deduction
+ {
+
+ template < typename T1, typename T2 >
+ struct is_same
+ {
+ static const bool value = false;
+ };
+
+ template < typename T >
+ struct is_same
+ {
+ static const bool value = true;
+ };
+
+ template < typename T1, typename T2 >
+ auto
+ add(T1 a1, T2 a2) -> decltype(a1 + a2)
+ {
+ return a1 + a2;
+ }
+
+ int
+ test(const int c, volatile int v)
+ {
+ static_assert(is_same::value == true, "");
+ static_assert(is_same::value == false, "");
+ static_assert(is_same::value == false, "");
+ auto ac = c;
+ auto av = v;
+ auto sumi = ac + av + 'x';
+ auto sumf = ac + av + 1.0;
+ static_assert(is_same::value == true, "");
+ static_assert(is_same::value == true, "");
+ static_assert(is_same::value == true, "");
+ static_assert(is_same::value == false, "");
+ static_assert(is_same::value == true, "");
+ return (sumf > 0.0) ? sumi : add(c, v);
+ }
+
+ }
+
+ namespace test_noexcept
+ {
+
+ int f() { return 0; }
+ int g() noexcept { return 0; }
+
+ static_assert(noexcept(f()) == false, "");
+ static_assert(noexcept(g()) == true, "");
+
+ }
+
+ namespace test_constexpr
+ {
+
+ template < typename CharT >
+ unsigned long constexpr
+ strlen_c_r(const CharT *const s, const unsigned long acc) noexcept
+ {
+ return *s ? strlen_c_r(s + 1, acc + 1) : acc;
+ }
+
+ template < typename CharT >
+ unsigned long constexpr
+ strlen_c(const CharT *const s) noexcept
+ {
+ return strlen_c_r(s, 0UL);
+ }
+
+ static_assert(strlen_c("") == 0UL, "");
+ static_assert(strlen_c("1") == 1UL, "");
+ static_assert(strlen_c("example") == 7UL, "");
+ static_assert(strlen_c("another\0example") == 7UL, "");
+
+ }
+
+ namespace test_rvalue_references
+ {
+
+ template < int N >
+ struct answer
+ {
+ static constexpr int value = N;
+ };
+
+ answer<1> f(int&) { return answer<1>(); }
+ answer<2> f(const int&) { return answer<2>(); }
+ answer<3> f(int&&) { return answer<3>(); }
+
+ void
+ test()
+ {
+ int i = 0;
+ const int c = 0;
+ static_assert(decltype(f(i))::value == 1, "");
+ static_assert(decltype(f(c))::value == 2, "");
+ static_assert(decltype(f(0))::value == 3, "");
+ }
+
+ }
+
+ namespace test_uniform_initialization
+ {
+
+ struct test
+ {
+ static const int zero {};
+ static const int one {1};
+ };
+
+ static_assert(test::zero == 0, "");
+ static_assert(test::one == 1, "");
+
+ }
+
+ namespace test_lambdas
+ {
+
+ void
+ test1()
+ {
+ auto lambda1 = [](){};
+ auto lambda2 = lambda1;
+ lambda1();
+ lambda2();
+ }
+
+ int
+ test2()
+ {
+ auto a = [](int i, int j){ return i + j; }(1, 2);
+ auto b = []() -> int { return '0'; }();
+ auto c = [=](){ return a + b; }();
+ auto d = [&](){ return c; }();
+ auto e = [a, &b](int x) mutable {
+ const auto identity = [](int y){ return y; };
+ for (auto i = 0; i < a; ++i)
+ a += b--;
+ return x + identity(a + b);
+ }(0);
+ return a + b + c + d + e;
+ }
+
+ int
+ test3()
+ {
+ const auto nullary = [](){ return 0; };
+ const auto unary = [](int x){ return x; };
+ using nullary_t = decltype(nullary);
+ using unary_t = decltype(unary);
+ const auto higher1st = [](nullary_t f){ return f(); };
+ const auto higher2nd = [unary](nullary_t f1){
+ return [unary, f1](unary_t f2){ return f2(unary(f1())); };
+ };
+ return higher1st(nullary) + higher2nd(nullary)(unary);
+ }
+
+ }
+
+ namespace test_variadic_templates
+ {
+
+ template
+ struct sum;
+
+ template
+ struct sum
+ {
+ static constexpr auto value = N0 + sum::value;
+ };
+
+ template <>
+ struct sum<>
+ {
+ static constexpr auto value = 0;
+ };
+
+ static_assert(sum<>::value == 0, "");
+ static_assert(sum<1>::value == 1, "");
+ static_assert(sum<23>::value == 23, "");
+ static_assert(sum<1, 2>::value == 3, "");
+ static_assert(sum<5, 5, 11>::value == 21, "");
+ static_assert(sum<2, 3, 5, 7, 11, 13>::value == 41, "");
+
+ }
+
+ // http://stackoverflow.com/questions/13728184/template-aliases-and-sfinae
+ // Clang 3.1 fails with headers of libstd++ 4.8.3 when using std::function
+ // because of this.
+ namespace test_template_alias_sfinae
+ {
+
+ struct foo {};
+
+ template
+ using member = typename T::member_type;
+
+ template
+ void func(...) {}
+
+ template
+ void func(member*) {}
+
+ void test();
+
+ void test() { func(0); }
+
+ }
+
+} // namespace cxx11
+
+#endif // __cplusplus >= 201103L
+
+]])
+
+
+dnl Tests for new features in C++14
+
+m4_define([_AX_CXX_COMPILE_STDCXX_testbody_new_in_14], [[
+
+// If the compiler admits that it is not ready for C++14, why torture it?
+// Hopefully, this will speed up the test.
+
+#ifndef __cplusplus
+
+#error "This is not a C++ compiler"
+
+#elif __cplusplus < 201402L
+
+#error "This is not a C++14 compiler"
+
+#else
+
+namespace cxx14
+{
+
+ namespace test_polymorphic_lambdas
+ {
+
+ int
+ test()
+ {
+ const auto lambda = [](auto&&... args){
+ const auto istiny = [](auto x){
+ return (sizeof(x) == 1UL) ? 1 : 0;
+ };
+ const int aretiny[] = { istiny(args)... };
+ return aretiny[0];
+ };
+ return lambda(1, 1L, 1.0f, '1');
+ }
+
+ }
+
+ namespace test_binary_literals
+ {
+
+ constexpr auto ivii = 0b0000000000101010;
+ static_assert(ivii == 42, "wrong value");
+
+ }
+
+ namespace test_generalized_constexpr
+ {
+
+ template < typename CharT >
+ constexpr unsigned long
+ strlen_c(const CharT *const s) noexcept
+ {
+ auto length = 0UL;
+ for (auto p = s; *p; ++p)
+ ++length;
+ return length;
+ }
+
+ static_assert(strlen_c("") == 0UL, "");
+ static_assert(strlen_c("x") == 1UL, "");
+ static_assert(strlen_c("test") == 4UL, "");
+ static_assert(strlen_c("another\0test") == 7UL, "");
+
+ }
+
+ namespace test_lambda_init_capture
+ {
+
+ int
+ test()
+ {
+ auto x = 0;
+ const auto lambda1 = [a = x](int b){ return a + b; };
+ const auto lambda2 = [a = lambda1(x)](){ return a; };
+ return lambda2();
+ }
+
+ }
+
+ namespace test_digit_seperators
+ {
+
+ constexpr auto ten_million = 100'000'000;
+ static_assert(ten_million == 100000000, "");
+
+ }
+
+ namespace test_return_type_deduction
+ {
+
+ auto f(int& x) { return x; }
+ decltype(auto) g(int& x) { return x; }
+
+ template < typename T1, typename T2 >
+ struct is_same
+ {
+ static constexpr auto value = false;
+ };
+
+ template < typename T >
+ struct is_same
+ {
+ static constexpr auto value = true;
+ };
+
+ int
+ test()
+ {
+ auto x = 0;
+ static_assert(is_same::value, "");
+ static_assert(is_same::value, "");
+ return x;
+ }
+
+ }
+
+} // namespace cxx14
+
+#endif // __cplusplus >= 201402L
+
+]])
diff --git a/m4/m4_ax_openmp.m4 b/m4/m4_ax_openmp.m4
new file mode 100644
index 00000000..26639faa
--- /dev/null
+++ b/m4/m4_ax_openmp.m4
@@ -0,0 +1,123 @@
+# ===========================================================================
+# http://www.gnu.org/software/autoconf-archive/ax_openmp.html
+# ===========================================================================
+#
+# SYNOPSIS
+#
+# AX_OPENMP([ACTION-IF-FOUND[, ACTION-IF-NOT-FOUND]])
+#
+# DESCRIPTION
+#
+# This macro tries to find out how to compile programs that use OpenMP a
+# standard API and set of compiler directives for parallel programming
+# (see http://www-unix.mcs/)
+#
+# On success, it sets the OPENMP_CFLAGS/OPENMP_CXXFLAGS/OPENMP_F77FLAGS
+# output variable to the flag (e.g. -omp) used both to compile *and* link
+# OpenMP programs in the current language.
+#
+# NOTE: You are assumed to not only compile your program with these flags,
+# but also link it with them as well.
+#
+# If you want to compile everything with OpenMP, you should set:
+#
+# CFLAGS="$CFLAGS $OPENMP_CFLAGS"
+# #OR# CXXFLAGS="$CXXFLAGS $OPENMP_CXXFLAGS"
+# #OR# FFLAGS="$FFLAGS $OPENMP_FFLAGS"
+#
+# (depending on the selected language).
+#
+# The user can override the default choice by setting the corresponding
+# environment variable (e.g. OPENMP_CFLAGS).
+#
+# ACTION-IF-FOUND is a list of shell commands to run if an OpenMP flag is
+# found, and ACTION-IF-NOT-FOUND is a list of commands to run it if it is
+# not found. If ACTION-IF-FOUND is not specified, the default action will
+# define HAVE_OPENMP.
+#
+# LICENSE
+#
+# Copyright (c) 2008 Steven G. Johnson
+# Copyright (c) 2015 John W. Peterson
+# Copyright (c) 2016 Nick R. Papior
+#
+# This program is free software: you can redistribute it and/or modify it
+# under the terms of the GNU General Public License as published by the
+# Free Software Foundation, either version 3 of the License, or (at your
+# option) any later version.
+#
+# This program is distributed in the hope that it will be useful, but
+# WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General
+# Public License for more details.
+#
+# You should have received a copy of the GNU General Public License along
+# with this program. If not, see .
+#
+# As a special exception, the respective Autoconf Macro's copyright owner
+# gives unlimited permission to copy, distribute and modify the configure
+# scripts that are the output of Autoconf when processing the Macro. You
+# need not follow the terms of the GNU General Public License when using
+# or distributing such scripts, even though portions of the text of the
+# Macro appear in them. The GNU General Public License (GPL) does govern
+# all other use of the material that constitutes the Autoconf Macro.
+#
+# This special exception to the GPL applies to versions of the Autoconf
+# Macro released by the Autoconf Archive. When you make and distribute a
+# modified version of the Autoconf Macro, you may extend this special
+# exception to the GPL to apply to your modified version as well.
+
+#serial 12
+
+AC_DEFUN([AX_OPENMP], [
+AC_PREREQ([2.69]) dnl for _AC_LANG_PREFIX
+
+AC_CACHE_CHECK([for OpenMP flag of _AC_LANG compiler], ax_cv_[]_AC_LANG_ABBREV[]_openmp, [save[]_AC_LANG_PREFIX[]FLAGS=$[]_AC_LANG_PREFIX[]FLAGS
+ax_cv_[]_AC_LANG_ABBREV[]_openmp=unknown
+# Flags to try: -fopenmp (gcc), -mp (SGI & PGI),
+# -qopenmp (icc>=15), -openmp (icc),
+# -xopenmp (Sun), -omp (Tru64),
+# -qsmp=omp (AIX),
+# none
+ax_openmp_flags="-fopenmp -openmp -qopenmp -mp -xopenmp -omp -qsmp=omp none"
+if test "x$OPENMP_[]_AC_LANG_PREFIX[]FLAGS" != x; then
+ ax_openmp_flags="$OPENMP_[]_AC_LANG_PREFIX[]FLAGS $ax_openmp_flags"
+fi
+for ax_openmp_flag in $ax_openmp_flags; do
+ case $ax_openmp_flag in
+ none) []_AC_LANG_PREFIX[]FLAGS=$save[]_AC_LANG_PREFIX[] ;;
+ *) []_AC_LANG_PREFIX[]FLAGS="$save[]_AC_LANG_PREFIX[]FLAGS $ax_openmp_flag" ;;
+ esac
+ AC_LINK_IFELSE([AC_LANG_SOURCE([[
+@%:@include
+
+static void
+parallel_fill(int * data, int n)
+{
+ int i;
+@%:@pragma omp parallel for
+ for (i = 0; i < n; ++i)
+ data[i] = i;
+}
+
+int
+main()
+{
+ int arr[100000];
+ omp_set_num_threads(2);
+ parallel_fill(arr, 100000);
+ return 0;
+}
+]])],[ax_cv_[]_AC_LANG_ABBREV[]_openmp=$ax_openmp_flag; break],[])
+done
+[]_AC_LANG_PREFIX[]FLAGS=$save[]_AC_LANG_PREFIX[]FLAGS
+])
+if test "x$ax_cv_[]_AC_LANG_ABBREV[]_openmp" = "xunknown"; then
+ m4_default([$2],:)
+else
+ if test "x$ax_cv_[]_AC_LANG_ABBREV[]_openmp" != "xnone"; then
+ OPENMP_[]_AC_LANG_PREFIX[]FLAGS=$ax_cv_[]_AC_LANG_ABBREV[]_openmp
+ fi
+ m4_default([$1], [AC_DEFINE(HAVE_OPENMP,1,[Define if OpenMP is enabled])])
+fi
+])dnl AX_OPENMP
diff --git a/missing b/missing
deleted file mode 100755
index 1c8ff704..00000000
--- a/missing
+++ /dev/null
@@ -1,367 +0,0 @@
-#! /bin/sh
-# Common stub for a few missing GNU programs while installing.
-
-scriptversion=2006-05-10.23
-
-# Copyright (C) 1996, 1997, 1999, 2000, 2002, 2003, 2004, 2005, 2006
-# Free Software Foundation, Inc.
-# Originally by Fran,cois Pinard , 1996.
-
-# This program is free software; you can redistribute it and/or modify
-# it under the terms of the GNU General Public License as published by
-# the Free Software Foundation; either version 2, or (at your option)
-# any later version.
-
-# This program is distributed in the hope that it will be useful,
-# but WITHOUT ANY WARRANTY; without even the implied warranty of
-# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
-# GNU General Public License for more details.
-
-# You should have received a copy of the GNU General Public License
-# along with this program; if not, write to the Free Software
-# Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
-# 02110-1301, USA.
-
-# As a special exception to the GNU General Public License, if you
-# distribute this file as part of a program that contains a
-# configuration script generated by Autoconf, you may include it under
-# the same distribution terms that you use for the rest of that program.
-
-if test $# -eq 0; then
- echo 1>&2 "Try \`$0 --help' for more information"
- exit 1
-fi
-
-run=:
-sed_output='s/.* --output[ =]\([^ ]*\).*/\1/p'
-sed_minuso='s/.* -o \([^ ]*\).*/\1/p'
-
-# In the cases where this matters, `missing' is being run in the
-# srcdir already.
-if test -f configure.ac; then
- configure_ac=configure.ac
-else
- configure_ac=configure.in
-fi
-
-msg="missing on your system"
-
-case $1 in
---run)
- # Try to run requested program, and just exit if it succeeds.
- run=
- shift
- "$@" && exit 0
- # Exit code 63 means version mismatch. This often happens
- # when the user try to use an ancient version of a tool on
- # a file that requires a minimum version. In this case we
- # we should proceed has if the program had been absent, or
- # if --run hadn't been passed.
- if test $? = 63; then
- run=:
- msg="probably too old"
- fi
- ;;
-
- -h|--h|--he|--hel|--help)
- echo "\
-$0 [OPTION]... PROGRAM [ARGUMENT]...
-
-Handle \`PROGRAM [ARGUMENT]...' for when PROGRAM is missing, or return an
-error status if there is no known handling for PROGRAM.
-
-Options:
- -h, --help display this help and exit
- -v, --version output version information and exit
- --run try to run the given command, and emulate it if it fails
-
-Supported PROGRAM values:
- aclocal touch file \`aclocal.m4'
- autoconf touch file \`configure'
- autoheader touch file \`config.h.in'
- autom4te touch the output file, or create a stub one
- automake touch all \`Makefile.in' files
- bison create \`y.tab.[ch]', if possible, from existing .[ch]
- flex create \`lex.yy.c', if possible, from existing .c
- help2man touch the output file
- lex create \`lex.yy.c', if possible, from existing .c
- makeinfo touch the output file
- tar try tar, gnutar, gtar, then tar without non-portable flags
- yacc create \`y.tab.[ch]', if possible, from existing .[ch]
-
-Send bug reports to ."
- exit $?
- ;;
-
- -v|--v|--ve|--ver|--vers|--versi|--versio|--version)
- echo "missing $scriptversion (GNU Automake)"
- exit $?
- ;;
-
- -*)
- echo 1>&2 "$0: Unknown \`$1' option"
- echo 1>&2 "Try \`$0 --help' for more information"
- exit 1
- ;;
-
-esac
-
-# Now exit if we have it, but it failed. Also exit now if we
-# don't have it and --version was passed (most likely to detect
-# the program).
-case $1 in
- lex|yacc)
- # Not GNU programs, they don't have --version.
- ;;
-
- tar)
- if test -n "$run"; then
- echo 1>&2 "ERROR: \`tar' requires --run"
- exit 1
- elif test "x$2" = "x--version" || test "x$2" = "x--help"; then
- exit 1
- fi
- ;;
-
- *)
- if test -z "$run" && ($1 --version) > /dev/null 2>&1; then
- # We have it, but it failed.
- exit 1
- elif test "x$2" = "x--version" || test "x$2" = "x--help"; then
- # Could not run --version or --help. This is probably someone
- # running `$TOOL --version' or `$TOOL --help' to check whether
- # $TOOL exists and not knowing $TOOL uses missing.
- exit 1
- fi
- ;;
-esac
-
-# If it does not exist, or fails to run (possibly an outdated version),
-# try to emulate it.
-case $1 in
- aclocal*)
- echo 1>&2 "\
-WARNING: \`$1' is $msg. You should only need it if
- you modified \`acinclude.m4' or \`${configure_ac}'. You might want
- to install the \`Automake' and \`Perl' packages. Grab them from
- any GNU archive site."
- touch aclocal.m4
- ;;
-
- autoconf)
- echo 1>&2 "\
-WARNING: \`$1' is $msg. You should only need it if
- you modified \`${configure_ac}'. You might want to install the
- \`Autoconf' and \`GNU m4' packages. Grab them from any GNU
- archive site."
- touch configure
- ;;
-
- autoheader)
- echo 1>&2 "\
-WARNING: \`$1' is $msg. You should only need it if
- you modified \`acconfig.h' or \`${configure_ac}'. You might want
- to install the \`Autoconf' and \`GNU m4' packages. Grab them
- from any GNU archive site."
- files=`sed -n 's/^[ ]*A[CM]_CONFIG_HEADER(\([^)]*\)).*/\1/p' ${configure_ac}`
- test -z "$files" && files="config.h"
- touch_files=
- for f in $files; do
- case $f in
- *:*) touch_files="$touch_files "`echo "$f" |
- sed -e 's/^[^:]*://' -e 's/:.*//'`;;
- *) touch_files="$touch_files $f.in";;
- esac
- done
- touch $touch_files
- ;;
-
- automake*)
- echo 1>&2 "\
-WARNING: \`$1' is $msg. You should only need it if
- you modified \`Makefile.am', \`acinclude.m4' or \`${configure_ac}'.
- You might want to install the \`Automake' and \`Perl' packages.
- Grab them from any GNU archive site."
- find . -type f -name Makefile.am -print |
- sed 's/\.am$/.in/' |
- while read f; do touch "$f"; done
- ;;
-
- autom4te)
- echo 1>&2 "\
-WARNING: \`$1' is needed, but is $msg.
- You might have modified some files without having the
- proper tools for further handling them.
- You can get \`$1' as part of \`Autoconf' from any GNU
- archive site."
-
- file=`echo "$*" | sed -n "$sed_output"`
- test -z "$file" && file=`echo "$*" | sed -n "$sed_minuso"`
- if test -f "$file"; then
- touch $file
- else
- test -z "$file" || exec >$file
- echo "#! /bin/sh"
- echo "# Created by GNU Automake missing as a replacement of"
- echo "# $ $@"
- echo "exit 0"
- chmod +x $file
- exit 1
- fi
- ;;
-
- bison|yacc)
- echo 1>&2 "\
-WARNING: \`$1' $msg. You should only need it if
- you modified a \`.y' file. You may need the \`Bison' package
- in order for those modifications to take effect. You can get
- \`Bison' from any GNU archive site."
- rm -f y.tab.c y.tab.h
- if test $# -ne 1; then
- eval LASTARG="\${$#}"
- case $LASTARG in
- *.y)
- SRCFILE=`echo "$LASTARG" | sed 's/y$/c/'`
- if test -f "$SRCFILE"; then
- cp "$SRCFILE" y.tab.c
- fi
- SRCFILE=`echo "$LASTARG" | sed 's/y$/h/'`
- if test -f "$SRCFILE"; then
- cp "$SRCFILE" y.tab.h
- fi
- ;;
- esac
- fi
- if test ! -f y.tab.h; then
- echo >y.tab.h
- fi
- if test ! -f y.tab.c; then
- echo 'main() { return 0; }' >y.tab.c
- fi
- ;;
-
- lex|flex)
- echo 1>&2 "\
-WARNING: \`$1' is $msg. You should only need it if
- you modified a \`.l' file. You may need the \`Flex' package
- in order for those modifications to take effect. You can get
- \`Flex' from any GNU archive site."
- rm -f lex.yy.c
- if test $# -ne 1; then
- eval LASTARG="\${$#}"
- case $LASTARG in
- *.l)
- SRCFILE=`echo "$LASTARG" | sed 's/l$/c/'`
- if test -f "$SRCFILE"; then
- cp "$SRCFILE" lex.yy.c
- fi
- ;;
- esac
- fi
- if test ! -f lex.yy.c; then
- echo 'main() { return 0; }' >lex.yy.c
- fi
- ;;
-
- help2man)
- echo 1>&2 "\
-WARNING: \`$1' is $msg. You should only need it if
- you modified a dependency of a manual page. You may need the
- \`Help2man' package in order for those modifications to take
- effect. You can get \`Help2man' from any GNU archive site."
-
- file=`echo "$*" | sed -n "$sed_output"`
- test -z "$file" && file=`echo "$*" | sed -n "$sed_minuso"`
- if test -f "$file"; then
- touch $file
- else
- test -z "$file" || exec >$file
- echo ".ab help2man is required to generate this page"
- exit 1
- fi
- ;;
-
- makeinfo)
- echo 1>&2 "\
-WARNING: \`$1' is $msg. You should only need it if
- you modified a \`.texi' or \`.texinfo' file, or any other file
- indirectly affecting the aspect of the manual. The spurious
- call might also be the consequence of using a buggy \`make' (AIX,
- DU, IRIX). You might want to install the \`Texinfo' package or
- the \`GNU make' package. Grab either from any GNU archive site."
- # The file to touch is that specified with -o ...
- file=`echo "$*" | sed -n "$sed_output"`
- test -z "$file" && file=`echo "$*" | sed -n "$sed_minuso"`
- if test -z "$file"; then
- # ... or it is the one specified with @setfilename ...
- infile=`echo "$*" | sed 's/.* \([^ ]*\) *$/\1/'`
- file=`sed -n '
- /^@setfilename/{
- s/.* \([^ ]*\) *$/\1/
- p
- q
- }' $infile`
- # ... or it is derived from the source name (dir/f.texi becomes f.info)
- test -z "$file" && file=`echo "$infile" | sed 's,.*/,,;s,.[^.]*$,,'`.info
- fi
- # If the file does not exist, the user really needs makeinfo;
- # let's fail without touching anything.
- test -f $file || exit 1
- touch $file
- ;;
-
- tar)
- shift
-
- # We have already tried tar in the generic part.
- # Look for gnutar/gtar before invocation to avoid ugly error
- # messages.
- if (gnutar --version > /dev/null 2>&1); then
- gnutar "$@" && exit 0
- fi
- if (gtar --version > /dev/null 2>&1); then
- gtar "$@" && exit 0
- fi
- firstarg="$1"
- if shift; then
- case $firstarg in
- *o*)
- firstarg=`echo "$firstarg" | sed s/o//`
- tar "$firstarg" "$@" && exit 0
- ;;
- esac
- case $firstarg in
- *h*)
- firstarg=`echo "$firstarg" | sed s/h//`
- tar "$firstarg" "$@" && exit 0
- ;;
- esac
- fi
-
- echo 1>&2 "\
-WARNING: I can't seem to be able to run \`tar' with the given arguments.
- You may want to install GNU tar or Free paxutils, or check the
- command line arguments."
- exit 1
- ;;
-
- *)
- echo 1>&2 "\
-WARNING: \`$1' is needed, and is $msg.
- You might have modified some files without having the
- proper tools for further handling them. Check the \`README' file,
- it often tells you about the needed prerequisites for installing
- this package. You may also peek at any GNU archive site, in case
- some other package would contain this missing \`$1' program."
- exit 1
- ;;
-esac
-
-exit 0
-
-# Local variables:
-# eval: (add-hook 'write-file-hooks 'time-stamp)
-# time-stamp-start: "scriptversion="
-# time-stamp-format: "%:y-%02m-%02d.%02H"
-# time-stamp-end: "$"
-# End:
diff --git a/perl/IntaRNA_1ui.pl b/perl/IntaRNA_1ui.pl
new file mode 100644
index 00000000..5e79bcac
--- /dev/null
+++ b/perl/IntaRNA_1ui.pl
@@ -0,0 +1,130 @@
+#!/usr/bin/env/perl -w
+
+use strict;
+use Getopt::Std;
+use File::Basename qw( dirname );
+
+my $intaRNAbinPath = dirname(__FILE__)."/";
+
+my %args;
+
+getopt("t:m:v:s:p:w:L:l:T:u:", \%args);
+
+if (defined $args{h} && $args{h}==1) {
+print "
+\n
+Synopsis : IntaRNA [-t fasta_file] [-m fasta_file] "#[-v energy]
+."[-o]\n
+ [-s number] [-n] [-h] "#[-u[1|2] number]
+."[-u number]\n
+ [-p number] "#[-f pos,pos]
+."[-T temp] "#[-U] [-P]
+."[-w size]\n
+ [-L distance] [-l length] \n"
+#[-a weight] [-b weight]\n
+# [-c threshold] target-RNA-seq binding-RNA-seq\n
+."\n
+Description : User interface wrapper for intaRNA v1 like calls.\n
+\n
+Options :\n
+ === General parameters ===\n
+ -t fasta_file : use fasta file of target sequences\n
+ -m fasta_file : use fasta file of binding sequences\n
+ -v energy : outputs all results below energy in kcal/mol\n
+ -o : detailed output\n
+ -s number : max. number of calculated suboptimal results\n
+ (default:0)\n
+ -n : use no heuristic for hybridization end\n
+ (complete approach, more time-consuming)\n
+ Does not support -s option\n
+ -h : this help\n
+\n
+ === Seed parameters ===\n
+ -p number : exact number of paired bases in the seed region\n
+ (default:6)\n"
+# -u[1|2] number : max. number of unpaired bases in the seed\n
+# region in\n
+# 1: the first sequence (default:0)\n
+# 2: the second sequence (default:0)\n
+." -u number : max. number of unpaired bases in the seed\n
+ region in both sequences (default:0)\n"
+# -f number,number : search for seed in binding RNA (e.g. ncRNA)\n
+# in region between positions start,end\n
+# (given in 5' to 3' direction counting from 1)\n
+
+."\n
+ === RNA folding parameters ===\n
+ -T temp : temperature in Celsius (default: 37°C)\n"
+# -U : use RNAup to compute ED values of binding RNA\n
+# (default)\n
+# -P : use RNAplfold to compute ED values of target RNA\n
+# (default)\n
+." -w size : window size for computation of ED values\n
+ with RNAplfold (default: length of target RNA)\n
+ -L distance : max. distance of two paired bases for\n
+ computation of ED values with RNAplfold\n
+ (default: window size)\n
+ -l length : max. length of hybridized region, mainly used\n
+ for efficient computation (default: window size)\n"
+# -a weight : weight for ED values of target RNA in energy\n
+# (default: 1.0)\n
+# -b weight : weight for ED values of binding RNA in energy\n
+# (default: 1.0)\n
+# -c threshold : threshold for seed accessibility, requires u=0\n
+# EXPERIMENTAL FEATURE, (default: -1.0)\n
+."";
+exit 0;
+}
+
+
+# generate intaRNA 2 call
+my $intaRNA2call = "";
+if (defined $args{t}) { $intaRNA2call .= " -t ".($args{t}); }
+if (defined $args{m}) { $intaRNA2call .= " -q ".($args{m}); }
+if (defined $args{v}) { $intaRNA2call .= " --outMaxE=".($args{v}); }
+if (defined $args{s}) { $intaRNA2call .= " -n ".($args{s}+1); }
+if (defined $args{p}) { $intaRNA2call .= " --seedBP=".($args{p}); }
+if (defined $args{T}) { $intaRNA2call .= " --temperature=".($args{T}); }
+if (defined $args{w}) {
+ $intaRNA2call .= " --tAccW=".($args{w});
+} else {
+ $intaRNA2call .= " --tAccW=0";
+}
+# always full sequence length for query
+$intaRNA2call .= " --qAccW=0";
+if (defined $args{L}) {
+ $intaRNA2call .= " --tAccL=".($args{L});
+} else {
+ $intaRNA2call .= " --tAccL=0";
+}
+# always full sequence length for query
+$intaRNA2call .= " --qAccL=0";
+if (defined $args{l}) {
+ $intaRNA2call .= " --tIntLenMax=".($args{l});
+ $intaRNA2call .= " --qIntLenMax=".($args{l});
+} else {
+ $intaRNA2call .= " --tIntLenMax=0";
+ $intaRNA2call .= " --qIntLenMax=0";
+}
+if (defined $args{o} && $args{o}==1) {
+ # setup detailed v1 output
+ $intaRNA2call .=" --outMode=O";
+} else {
+ # setup normal v1 output
+ $intaRNA2call .=" --outMode=1";
+}
+if (defined $args{n} && $args{n}==1) {
+ $intaRNA2call .= " --mode=E"
+} else {
+ $intaRNA2call .= " --mode=H"
+}
+if (defined $args{u}) {
+ $intaRNA2call .= " --seedMaxUP=".$args{u}
+} else {
+ $intaRNA2call .= " --seedMaxUP=0"
+}
+#$intaRNA2call .=" --seedMaxE=999"; # enable for IntaRNA v1-like seed handling
+$intaRNA2call .=" --energy=V";
+
+# call intaRNA 2
+system($intaRNAbinPath."IntaRNA"." ".$intaRNA2call);
diff --git a/perl/IntaRNA_up_1ui.pl b/perl/IntaRNA_up_1ui.pl
new file mode 100644
index 00000000..28fe81bc
--- /dev/null
+++ b/perl/IntaRNA_up_1ui.pl
@@ -0,0 +1,127 @@
+#!/usr/bin/env/perl -w
+
+use strict;
+use Getopt::Std;
+use File::Basename qw( dirname );
+
+my $intaRNAbinPath = dirname(__FILE__)."/";
+
+my %args;
+
+getopt("t:m:v:s:p:w:L:l:T:u:", \%args);
+
+if (defined $args{h} && $args{h}==1) {
+print "
+\n
+Synopsis : IntaRNA [-t fasta_file] [-m fasta_file] "#[-v energy]
+."[-o]\n
+ [-s number] [-n] [-h] "#[-u[1|2] number]
+."[-u number]\n
+ [-p number] "#[-f pos,pos]
+."[-T temp] "#[-U] [-P]
+."[-w size]\n
+ [-L distance] [-l length] \n"
+#[-a weight] [-b weight]\n
+# [-c threshold] target-RNA-seq binding-RNA-seq\n
+."\n
+Description : User interface wrapper for intaRNA v1 like calls.\n
+\n
+Options :\n
+ === General parameters ===\n
+ -t fasta_file : use fasta file of target sequences\n
+ -m fasta_file : use fasta file of binding sequences\n
+ -v energy : outputs all results below energy in kcal/mol\n
+ -o : detailed output\n
+ -s number : max. number of calculated suboptimal results\n
+ (default:0)\n
+ -n : use no seed constraint\n
+ -h : this help\n
+\n
+ === Seed parameters ===\n
+ -p number : exact number of paired bases in the seed region\n
+ (default:6)\n"
+# -u[1|2] number : max. number of unpaired bases in the seed\n
+# region in\n
+# 1: the first sequence (default:0)\n
+# 2: the second sequence (default:0)\n
+." -u number : max. number of unpaired bases in the seed\n
+ region in both sequences (default:0)\n"
+# -f number,number : search for seed in binding RNA (e.g. ncRNA)\n
+# in region between positions start,end\n
+# (given in 5' to 3' direction counting from 1)\n
+
+."\n
+ === RNA folding parameters ===\n
+ -T temp : temperature in Celsius (default: 37°C)\n"
+# -U : use RNAup to compute ED values of binding RNA\n
+# (default)\n
+# -P : use RNAplfold to compute ED values of target RNA\n
+# (default)\n
+." -w size : window size for computation of ED values\n
+ with RNAplfold (default: length of target RNA)\n
+ -L distance : max. distance of two paired bases for\n
+ computation of ED values with RNAplfold\n
+ (default: window size)\n
+ -l length : max. length of hybridized region, mainly used\n
+ for efficient computation (default: window size)\n"
+# -a weight : weight for ED values of target RNA in energy\n
+# (default: 1.0)\n
+# -b weight : weight for ED values of binding RNA in energy\n
+# (default: 1.0)\n
+# -c threshold : threshold for seed accessibility, requires u=0\n
+# EXPERIMENTAL FEATURE, (default: -1.0)\n
+."";
+exit 0;
+}
+
+
+# generate intaRNA 2 call
+my $intaRNA2call = "";
+if (defined $args{t}) { $intaRNA2call .= " -t ".($args{t}); }
+if (defined $args{m}) { $intaRNA2call .= " -q ".($args{m}); }
+if (defined $args{v}) { $intaRNA2call .= " --outMaxE=".($args{v}); }
+if (defined $args{s}) { $intaRNA2call .= " -n ".($args{s}+1); }
+if (defined $args{p}) { $intaRNA2call .= " --seedBP=".($args{p}); }
+if (defined $args{T}) { $intaRNA2call .= " --temperature=".($args{T}); }
+if (defined $args{w}) {
+ $intaRNA2call .= " --tAccW=".($args{w});
+} else {
+ $intaRNA2call .= " --tAccW=0";
+}
+# always full sequence length for query
+$intaRNA2call .= " --qAccW=0";
+if (defined $args{L}) {
+ $intaRNA2call .= " --tAccL=".($args{L});
+} else {
+ $intaRNA2call .= " --tAccL=0";
+}
+# always full sequence length for query
+$intaRNA2call .= " --qAccL=0";
+if (defined $args{l}) {
+ $intaRNA2call .= " --tIntLenMax=".($args{l});
+ $intaRNA2call .= " --qIntLenMax=".($args{l});
+} else {
+ $intaRNA2call .= " --tIntLenMax=0";
+ $intaRNA2call .= " --qIntLenMax=0";
+}
+if (defined $args{o} && $args{o}==1) {
+ # setup detailed v1 output
+ $intaRNA2call .=" --outMode=O";
+} else {
+ # setup normal v1 output
+ $intaRNA2call .=" --outMode=1";
+}
+if (defined $args{n} && $args{n}==1) {
+ $intaRNA2call .= " --noSeed"
+}
+$intaRNA2call .= " --mode=E";
+if (defined $args{u}) {
+ $intaRNA2call .= " --seedMaxUP=".$args{u}
+} else {
+ $intaRNA2call .= " --seedMaxUP=0"
+}
+#$intaRNA2call .=" --seedMaxE=999"; # enable for IntaRNA v1-like seed handling
+$intaRNA2call .=" --energy=V";
+
+# call intaRNA 2
+system($intaRNAbinPath."IntaRNA"." ".$intaRNA2call);
diff --git a/perl/Makefile.am b/perl/Makefile.am
new file mode 100644
index 00000000..7a34511d
--- /dev/null
+++ b/perl/Makefile.am
@@ -0,0 +1,10 @@
+
+#################################################
+# IntaRNA Perl interface files
+#################################################
+
+dist_bin_SCRIPTS = \
+ IntaRNA_1ui.pl \
+ IntaRNA_up_1ui.pl
+
+
diff --git a/src/.gitignore b/src/.gitignore
new file mode 100644
index 00000000..fec7b77d
--- /dev/null
+++ b/src/.gitignore
@@ -0,0 +1,10 @@
+# autotools' temporary files
+.deps
+config.h
+config.h.in
+Makefile
+Makefile.in
+stamp-*
+
+# generated header
+intarna_config.h
diff --git a/src/Accessibility.cpp b/src/Accessibility.cpp
new file mode 100644
index 00000000..2813b7e9
--- /dev/null
+++ b/src/Accessibility.cpp
@@ -0,0 +1,114 @@
+
+
+#include "Accessibility.h"
+
+////////////////////////////////////////////////////////////////////
+
+const E_type Accessibility::ED_UPPER_BOUND = (E_type) E_INF;
+
+////////////////////////////////////////////////////////////////////
+
+std::ostream&
+operator<<(std::ostream& out, const Accessibility& acc)
+{
+ const std::string delimiter = " ";
+ // print one line for each i
+ out <<"\n# ED values for "<=0?" ":"") <
+
+/**
+ * Abstract interface that represents accessibility data for a given RNA
+ * sequence.
+ *
+ * TODO : init function to trigger accessibility computation for a certain region
+ *
+ * @author Martin Mann 2014
+ */
+class Accessibility {
+
+public:
+
+ //! upper bound for all ED return values
+ const static E_type ED_UPPER_BOUND;
+
+public:
+
+ /**
+ * Construction
+ * @param sequence the sequence the accessibility data belongs to
+ * @param maxLength the maximal length of accessible regions (>0) to be
+ * considered. 0 defaults to the full sequence's length, otherwise
+ * is is internally set to min(maxLength,seq.length).
+ * @param accConstr optional accessibility constraint
+ */
+ Accessibility( const RnaSequence& sequence
+ , const size_t maxLength
+ , const AccessibilityConstraint * const accConstr
+ );
+
+ /**
+ * destruction
+ */
+ virtual ~Accessibility();
+
+ /**
+ * Returns the accessibility energy value for the given range in the
+ * sequence, i.e. the energy difference (ED) to make the region accessible.
+ *
+ * @param from the start index of the regions (from <= to)
+ * @param to the end index of the regions (to < seq.length)
+ *
+ * @return the ED value if (j-1+1) <= maxLength or ED_UPPER_BOUND otherwise
+ *
+ * @throw std::runtime_error in case it does not hold 0 <= from <= to < seq.length
+ */
+ virtual
+ E_type
+ getED( const size_t from, const size_t to ) const = 0;
+
+ /**
+ * Access to the RnaSequence this accessibility values are accounting for.
+ * @return the underlying sequence for this accessibility object.
+ */
+ virtual
+ const RnaSequence &
+ getSequence() const;
+
+ /**
+ * Access to the maximal length of accessible regions (>0) to be considered.
+ * @return the maximal length of accessible regions considered
+ */
+ virtual
+ size_t
+ getMaxLength() const;
+
+ /**
+ * Access to the globally enforced accessibility constraint. Here '.'
+ * denotes unconstrained positions and 'x' positions that have to be
+ * unstructured. Regions covering constrained positions will result in
+ * ED_UPPER_BOUND accessibility values.
+ * @return the global accessibility constraint applied
+ */
+ virtual
+ const AccessibilityConstraint&
+ getAccConstraint() const;
+
+ /**
+ * Writes the ED values as unpaired probabilities in RNAplfold style to
+ * stream.
+ *
+ * @param out the output stream to write to
+ * @param RT the scaled temperature value to be used for conversion of
+ * ED to Pu : Pu = exp( -ED/RT )
+ */
+ void
+ writeRNAplfold_Pu_text( std::ostream& out, const E_type RT ) const;
+
+ /**
+ * Writes the ED values in RNAplfold style to stream.
+ *
+ * @param out the output stream to write to
+ */
+ void
+ writeRNAplfold_ED_text( std::ostream& out ) const;
+
+ /**
+ * Prints the accessibility values to stream as upper triangular matrix
+ * @param out the ostream to write to
+ * @param acc the Accessibility object to add
+ * @return the altered stream out
+ */
+ friend std::ostream& operator<<(std::ostream& out, const Accessibility& acc);
+
+
+protected:
+
+ //! the RNA sequence the accessibilities correspond to
+ const RnaSequence & seq;
+
+ //! the maximal length of an unpaired regions to be considered
+ const size_t maxLength;
+
+ //! accessibility constraint
+ AccessibilityConstraint accConstraint;
+
+ /**
+ * Checks the given indices to be in the range 0 <= from <= to < seq.length
+ * and throws a std::runtime_error if the constraint is not met.
+ * @param from the start index of the regions
+ * @param to the end index of the regions
+ *
+ * @throw std::runtime_error in case it does not hold 0 <= from <= to < seq.length
+ */
+ virtual
+ void
+ checkIndices( const size_t from, const size_t to ) const;
+
+ /**
+ * Writes the ED values as unpaired probabilities in RNAplfold style to
+ * stream.
+ *
+ * @param out the output stream to write to
+ * @param RT the scaled temperature value to be used for conversion of
+ * ED to Pu : Pu = exp( -ED/RT )
+ * @param writeProbs (true) write unpaired probabilities; (false) write ED
+ */
+ void
+ writeRNAplfold_text( std::ostream& out, const E_type RT, const bool writeProbs ) const;
+
+};
+
+
+
+/////////////////////////////////////////////////////////////////////////////
+
+inline
+Accessibility::Accessibility( const RnaSequence& seq
+ , const size_t maxLength
+ , const AccessibilityConstraint * const accConstraint_ )
+ :
+ seq(seq)
+ // set maxLength to appropriate value
+ , maxLength( maxLength==0 ? seq.size() : std::min(maxLength,seq.size()) )
+ , accConstraint( seq.size() )
+{
+ // set constraint if needed
+ if (accConstraint_ != NULL) {
+ accConstraint = *accConstraint_;
+ }
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
+inline
+Accessibility::~Accessibility()
+{
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
+inline
+void
+Accessibility::
+checkIndices( const size_t from, const size_t to ) const
+{
+#if IN_DEBUG_MODE
+ if (from > to || to >= getSequence().size()) {
+ throw std::runtime_error("Accessibility::checkIndices : region ["+toString(from)+","+toString(to)+"] does not fulfill 0 <= from <= to < seq.length");
+ }
+#endif
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
+inline
+const RnaSequence &
+Accessibility::
+getSequence() const
+{
+ return seq;
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
+inline
+size_t
+Accessibility::
+getMaxLength() const
+{
+ return maxLength;
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
+inline
+const AccessibilityConstraint&
+Accessibility::
+getAccConstraint() const
+{
+ return accConstraint;
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
+inline
+void
+Accessibility::
+writeRNAplfold_ED_text( std::ostream& out ) const
+{
+ writeRNAplfold_text( out, 1.0, false );
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
+inline
+void
+Accessibility::
+writeRNAplfold_Pu_text( std::ostream& out, const E_type RT ) const
+{
+ writeRNAplfold_text( out, RT, true );
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
+
+#endif /* ACCESSIBILITY_H_ */
diff --git a/src/AccessibilityConstraint.cpp b/src/AccessibilityConstraint.cpp
new file mode 100644
index 00000000..987c6e74
--- /dev/null
+++ b/src/AccessibilityConstraint.cpp
@@ -0,0 +1,54 @@
+
+#include "AccessibilityConstraint.h"
+
+////////////////////////////////////////////////////////////////////////
+
+// the marker for blocked positions in dot-bracket notation
+const char AccessibilityConstraint::dotBracket_blocked = 'b';
+// the marker for accessible positions in dot-bracket notation
+const char AccessibilityConstraint::dotBracket_accessible = 'x';
+
+const std::string AccessibilityConstraint::dotBracketAlphabet = ".()"
+ +toString(AccessibilityConstraint::dotBracket_accessible)
+ +toString(AccessibilityConstraint::dotBracket_blocked);
+
+
+////////////////////////////////////////////////////////////////////////
+
+void
+AccessibilityConstraint::
+screenDotBracket( const std::string& dotBracket
+ , const char marker
+ , IndexRangeList & storage )
+{
+ // temporary variable holding the start of the current region
+ size_t lastRegionStart = std::string::npos;
+ // screen for consecutive marker regions
+ for (size_t i=0; i
+#include
+
+/**
+ * Represents the constraints for accessibility computation, ie. sequence
+ * regions that are known to be blocked (not available to interaction) or
+ * for sure accessible.
+ *
+ * These constraints are than incorporated into the computation of the
+ * accessibility (ED) values to be used for interaction prediction.
+ *
+ * @author Martin Mann
+ *
+ */
+class AccessibilityConstraint {
+
+public:
+
+ //! the marker for blocked positions in dot-bracket notation
+ static const char dotBracket_blocked;
+ //! the marker for accessible positions in dot-bracket notation
+ static const char dotBracket_accessible;
+
+ //! the alphabet to encode accessibility constraints in dot-bracket notation
+ static const std::string dotBracketAlphabet;
+
+
+public:
+
+ /**
+ * Empty constraint construction
+ * @param length length of the constrained sequence
+ * @param maxBpSpan the maximal base pair span to be used for accessibility
+ * computation; set to 0 for full sequence length
+ */
+ AccessibilityConstraint( const size_t length, const size_t maxBpSpan = 0 );
+
+ /**
+ * Copy construction
+ * @param toCopy the constraint to copy
+ * @param revereseIndices whether or not to reverse indexing (eg to be used
+ * for ReverseAccessibility)
+ */
+ AccessibilityConstraint( const AccessibilityConstraint& toCopy
+ , const bool reverseIndices = false );
+
+ /**
+ * Constraint construction based on VRNA-like dot-bracket encoding
+ * @param dotBracket the constraint encoding in VRNA-like dot-bracket encoding
+ * @param maxBpSpan the maximal base pair span to be used for accessibility
+ * computation; set to 0 for full sequence length
+ */
+ AccessibilityConstraint( const std::string& dotBracket, const size_t maxBpSpan = 0 );
+
+ virtual ~AccessibilityConstraint();
+
+ /**
+ * Checks whether or not a sequence position is marked as blocked or not
+ * @param i the position of interest
+ * @return true if position i is marked blocked
+ */
+ bool
+ isMarkedBlocked( const size_t i ) const;
+
+ /**
+ * Checks whether or not a range is marked as blocked or not
+ * @param from the start of the range of interest
+ * @param to the end of the range of interest
+ * @return true if position i is marked blocked
+ */
+ bool
+ isMarkedBlocked( const size_t from, const size_t to ) const;
+
+ /**
+ * Checks whether or not a sequence position is marked as accessible or not
+ * @param i the position of interest
+ * @return true if position i is marked accessible
+ */
+ bool
+ isMarkedAccessible( const size_t i ) const;
+
+ /**
+ * Checks whether or not a range is marked as accessible or not
+ * @param from the start of the range of interest
+ * @param to the end of the range of interest
+ * @return true if position i is marked accessible
+ */
+ bool
+ isMarkedAccessible( const size_t from, const size_t to ) const;
+
+ /**
+ * Checks whether or not a sequence position is not constrained
+ * @param i the position of interest
+ * @return true if position i is not constrained
+ */
+ bool
+ isUnconstrained( const size_t i ) const;
+
+ /**
+ * Checks whether or not a sequence range is not constrained
+ * @param from the start of the range of interest
+ * @param to the end of the range of interest
+ * @return true if position i is not constrained
+ */
+ bool
+ isUnconstrained( const size_t from, const size_t to ) const;
+
+ /**
+ * Checks whether or not a position is available for interaction
+ * @param i the position of interest
+ * @return true if the position @p i is available interaction; false otherwise
+ */
+ bool
+ isAccessible( const size_t i ) const;
+
+ /**
+ * Checks whether or not a range is available for interaction
+ * @param from the start of the range of interest
+ * @param to the end of the range of interest
+ * @return true if the position @p i is available interaction; false otherwise
+ */
+ bool
+ isAccessible( const size_t from, const size_t to ) const;
+
+ /**
+ * Checks whether or not any accessibility constraints (base pairs, blocked,
+ * accessible, etc.) are given
+ * @return true if no structural constraints are present; false otherwise
+ */
+ bool
+ isEmpty() const;
+
+
+ /**
+ * Provides the VRNA dot-bracket notation of the constraint for position i
+ * @param i the position of interest
+ * @return the VRNA conform constraint encoding for position i
+ */
+ char
+ getVrnaDotBracket( const size_t i ) const;
+
+ /**
+ * Provides the maximal base pair span to be considered for accessibility
+ * computation.
+ * @return the maximal base pair span for accessibility computation
+ */
+ size_t
+ getMaxBpSpan() const;
+
+ /**
+ * Assignment of constraints for the same rna sequence.
+ *
+ * @param c the interaction to make this a copy of
+ */
+ AccessibilityConstraint & operator= ( const AccessibilityConstraint & c );
+
+
+protected:
+
+ //! the overall sequence length this constraint is about
+ size_t length;
+
+ //! the maximal base pair span to be used for accessibility computation
+ size_t maxBpSpan;
+
+ //! sorted list of ranges that are marked as blocked
+ IndexRangeList blocked;
+
+ //! sorted list of ranges that are marked as accessible
+ IndexRangeList accessible;
+
+protected:
+
+ /**
+ * screens the given dot-bracket string for consecutive regions of
+ * marker characters and pushes the according regions to the storage
+ * @param dotBracket the dot-bracket encoding to screen
+ * @param marker the marker character to screen for
+ * @param storage the container to push the identified regions to
+ */
+ static
+ void
+ screenDotBracket( const std::string& dotBracket
+ , const char marker
+ , IndexRangeList & storage );
+
+};
+
+
+////////////////////////////////////////////////////////////////////////
+////////////////////////////////////////////////////////////////////////
+////////////////////////////////////////////////////////////////////////
+
+inline
+AccessibilityConstraint::
+AccessibilityConstraint( const size_t length_, const size_t maxBpSpan_ )
+ :
+ length(length_),
+ maxBpSpan( maxBpSpan_==0 ? length : std::min(maxBpSpan_,length) ),
+ blocked(),
+ accessible()
+{
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+AccessibilityConstraint::
+AccessibilityConstraint( const std::string& dotBracket, const size_t maxBpSpan_ )
+ :
+ length(dotBracket.size()),
+ maxBpSpan( maxBpSpan_==0 ? length : std::min(maxBpSpan_,length) ),
+ blocked(),
+ accessible()
+{
+#if IN_DEBUG_MODE
+ if (dotBracket.find_first_not_of(dotBracketAlphabet)!=std::string::npos) {
+ throw std::runtime_error("AccessibilityConstraint("+dotBracket+") contains unsupported characters");
+ }
+#endif
+
+ // check for base pairs (not implemented yet)
+ if (dotBracket.find_first_of("()") != std::string::npos) {
+ NOTIMPLEMENTED("AccessibilityConstraint(dotBracket) contains base pairs... currently only '."+toString(dotBracket_accessible)+toString(dotBracket_blocked)+"' implemented");
+ }
+
+ // screen for blocked regions
+ screenDotBracket( dotBracket, dotBracket_blocked, blocked );
+ // screen for accessible regions
+ screenDotBracket( dotBracket, dotBracket_accessible, accessible );
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+AccessibilityConstraint::
+AccessibilityConstraint( const AccessibilityConstraint& toCopy
+ , const bool reverseIndices)
+ :
+ length(toCopy.length)
+ , maxBpSpan(toCopy.maxBpSpan)
+ , blocked(toCopy.blocked)
+ , accessible(toCopy.accessible)
+{
+ // TODO copy structure constraints etc.
+
+ if (reverseIndices) {
+
+ // reverse blocked
+ blocked.reverse(length);
+
+ // reverse accessible
+ accessible.reverse(length);
+
+ // TODO reverse structure constraints
+ }
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+AccessibilityConstraint::~AccessibilityConstraint()
+{
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+bool
+AccessibilityConstraint::
+isMarkedBlocked(const size_t i) const
+{
+ return blocked.covers(i);
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+bool
+AccessibilityConstraint::
+isMarkedBlocked(const size_t from, const size_t to) const
+{
+ return blocked.covers(from,to);
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+bool
+AccessibilityConstraint::
+isMarkedAccessible(const size_t i) const
+{
+ return accessible.covers(i);
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+bool
+AccessibilityConstraint::
+isMarkedAccessible(const size_t from, const size_t to) const
+{
+ return accessible.covers(from,to);
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+bool
+AccessibilityConstraint::
+isUnconstrained( const size_t i ) const
+{
+ return isEmpty()
+ // TODO handle base pairing constraints etc..
+ || !(isMarkedAccessible(i) || isMarkedBlocked(i));
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+bool
+AccessibilityConstraint::
+isUnconstrained( const size_t from, const size_t to ) const
+{
+ return isEmpty()
+ // TODO handle base pairing constraints etc..
+ || !(isMarkedAccessible(from,to) || isMarkedBlocked(from,to));
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+bool
+AccessibilityConstraint::
+isAccessible( const size_t i ) const
+{
+ // TODO handle base pairing constraints etc.
+ return isEmpty()
+ || !isMarkedBlocked(i);
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+bool
+AccessibilityConstraint::
+isAccessible( const size_t from, const size_t to ) const
+{
+ // TODO handle base pairing constraints etc.
+ return isEmpty()
+ || !isMarkedBlocked( from, to );
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+bool
+AccessibilityConstraint::
+isEmpty() const
+{
+ // TODO CHECK FOR BASE PAIRS ETC
+ // check if any constrained regions given
+ return (accessible.size() + blocked.size()) == 0;
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+char
+AccessibilityConstraint::
+getVrnaDotBracket(const size_t i) const
+{
+ // check if to be accessible or blocked (==unstructured)
+ if (isMarkedAccessible(i) || isMarkedBlocked(i)) {
+ return 'x';
+ }
+
+ // TODO add base pair handling etc.
+
+ return '.';
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+size_t
+AccessibilityConstraint::
+getMaxBpSpan() const
+{
+ return maxBpSpan;
+}
+
+////////////////////////////////////////////////////////////////////////
+
+inline
+AccessibilityConstraint &
+AccessibilityConstraint::
+operator= ( const AccessibilityConstraint & c )
+{
+ // copy data
+ length = c.length;
+ maxBpSpan = c.maxBpSpan;
+ blocked = c.blocked;
+ accessible = c.accessible;
+ // TODO copy structure constraints etc.
+
+ return *this;
+}
+
+////////////////////////////////////////////////////////////////////////
+
+
+
+#endif /* ACCESSIBILITYCONSTRAINT_H_ */
diff --git a/src/AccessibilityDisabled.h b/src/AccessibilityDisabled.h
new file mode 100644
index 00000000..566a9032
--- /dev/null
+++ b/src/AccessibilityDisabled.h
@@ -0,0 +1,101 @@
+/*
+ * AccessibilityDisabled.h
+ *
+ * Created on: 25.06.2014
+ * Author: Mmann
+ */
+
+#ifndef ACCESSIBILITYDISABLED_H_
+#define ACCESSIBILITYDISABLED_H_
+
+#include "Accessibility.h"
+
+/**
+ * Implements the Accessibility interface but disables ED value computation,
+ * i.e. all ED values are set to zero.
+ *
+ * @author Martin Mann 2014
+ */
+class AccessibilityDisabled: public Accessibility {
+
+public:
+
+ /**
+ * Construction
+ * @param sequence the sequence the accessibility data belongs to
+ * @param maxLength the maximal length of accessible regions to be
+ * considered. 0 defaults to the sequence's length.
+ * @param accConstr optional accessibility constraint
+ */
+ AccessibilityDisabled( const RnaSequence& sequence
+ , const size_t maxLength
+ , const AccessibilityConstraint * const accConstr
+ );
+
+ /**
+ * destruction
+ */
+ virtual ~AccessibilityDisabled();
+
+ /**
+ * Always returns a zero accessibility energy value.
+ *
+ * @param from the start index of the regions (from <= to)
+ * @param to the end index of the regions (to <= seq.length())
+ *
+ * @return 0 if (j-1+1) <= maxLength or ED_UPPER_BOUND otherwise
+ */
+ virtual
+ E_type
+ getED( const size_t from, const size_t to ) const;
+
+};
+
+
+
+///////////////////////////////////////////////////////////////////////////////
+
+inline
+AccessibilityDisabled::AccessibilityDisabled(const RnaSequence& seq
+ , const size_t maxLength
+ , const AccessibilityConstraint * const accConstr)
+ :
+ Accessibility(seq, maxLength, accConstr)
+{
+}
+
+///////////////////////////////////////////////////////////////////////////////
+
+inline
+AccessibilityDisabled::~AccessibilityDisabled()
+{
+}
+
+///////////////////////////////////////////////////////////////////////////////
+
+inline
+E_type
+AccessibilityDisabled::
+getED( const size_t from, const size_t to ) const
+{
+ // input check
+ checkIndices(from,to);
+
+ if ((to-from+1) <= getMaxLength()) {
+ // check for constrained positions within region
+ if (!getAccConstraint().isAccessible(from,to)) {
+ // position covers a blocked position --> omit accessibility
+ return ED_UPPER_BOUND;
+ }
+ // else: no accessibility computation done --> always zero
+ return (E_type)0;
+ } else {
+ // region length exceeds maximally allowed length -> no value
+ return ED_UPPER_BOUND;
+ }
+}
+
+///////////////////////////////////////////////////////////////////////////////
+
+
+#endif /* ACCESSIBILITYDISABLED_H_ */
diff --git a/src/AccessibilityFromStream.cpp b/src/AccessibilityFromStream.cpp
new file mode 100644
index 00000000..e7c2ba15
--- /dev/null
+++ b/src/AccessibilityFromStream.cpp
@@ -0,0 +1,173 @@
+
+#include "AccessibilityFromStream.h"
+
+#include
+#include
+
+/////////////////////////////////////////////////////////////////////////
+
+AccessibilityFromStream::
+AccessibilityFromStream(
+ const RnaSequence& sequence
+ , const size_t maxLength
+ , const AccessibilityConstraint * const accConstraint
+ , std::istream & inStream
+ , const InStreamType inStreamType
+ , const E_type RT
+ )
+ : Accessibility( sequence, maxLength, accConstraint )
+ , edValues()
+ , availMaxLength( Accessibility::getMaxLength() )
+{
+ switch( inStreamType ) {
+
+ case Pu_RNAplfold_Text :
+ parsePu_RNAplfold_text( inStream, RT );
+ break;
+
+ case ED_RNAplfold_Text :
+ parseED_RNAplfold_text( inStream );
+ break;
+
+ }
+}
+
+/////////////////////////////////////////////////////////////////////////
+
+AccessibilityFromStream::
+~AccessibilityFromStream()
+{
+}
+
+/////////////////////////////////////////////////////////////////////////
+
+
+void
+AccessibilityFromStream::
+parseRNAplfold_text( std::istream & inStream, const E_type RT, const bool parseProbs )
+{
+#if INTARNA_MULITHREADING
+ #pragma omp critical(intarna_omp_logOutput)
+#endif
+ { VLOG(2) <<"parsing "<<(parseProbs?"unpaired probabilities":"accessibility values")<<" from RNAplfold"<<(parseProbs?"":"-like")<<" input ..."; }
+ // time logging
+ TIMED_FUNC_IF(timerObj, VLOG_IS_ON(9));
+
+ // assume VRNA v2* style = matrix with maxLength rows
+
+ // skip leading white spaces
+ inStream >>std::skipws;
+
+ // parse first comment line
+ std::string line;
+ if ( !std::getline( inStream, line ) ) {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_text() : nothing readable");
+ }
+ if ( ! boost::regex_match(line,boost::regex("^#[\\w\\s]+$"), boost::match_perl) ) {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_text() : first line != expected header line starting with '#'");
+ }
+
+ // parse second line = available lengths
+ if ( !std::getline( inStream, line ) ) {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_text() : length header (2nd line) not found");
+ }
+ if ( ! boost::regex_match(line,boost::regex("^\\s*#i.\\s+l=1(\\s+\\d+)*\\s*$"), boost::match_perl) ) {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_text() : second line is no proper lengths header");
+ }
+ // check if maxLength <= max available length
+ size_t cutEnd = line.find_last_of("1234567890");
+ size_t cutStart = line.find_last_not_of("1234567890", cutEnd );
+ size_t maxAvailLength = boost::lexical_cast( line.substr(cutStart+1,cutEnd-cutStart));
+ if (maxAvailLength < getMaxLength()) {
+#if INTARNA_MULITHREADING
+ #pragma omp critical(intarna_omp_logOutput)
+#endif
+ { LOG(INFO) <<"initializing ED data for sequence '"<> j ) {
+ // check if lines are consecutive
+ if ( j != lastJ+1 ) {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_text() : non-consecutive line i="+toString(j)+" was preceeded by "+toString(lastJ));
+ }
+ // check if we line exceeds targeted length
+ if ( j > getSequence().size() ) {
+#if INTARNA_MULITHREADING
+ #pragma omp critical(intarna_omp_logOutput)
+#endif
+ { LOG(INFO) <<"AccessibilityFromStream::parseRNAplfold_text() : more lines found than sequence is long.. sure this is the correct file for this sequence?"; }
+ // stop parsing
+ break;
+ }
+ if ( j == lastJ ) {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_text() : duplicate for i="
+ + toString(lastJ));
+ }
+ } else {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_text() : could not read next line start (integer i) after parsing "
+ + toString(lastJ)+" lines of values");
+ }
+
+ // parse probabilities for this line and store
+ double curVal;
+ size_t minI = j - std::min( j, getMaxLength() );
+ for ( size_t i = j; i>minI; i--) {
+ if ( inStream >>curVal ) {
+ // check if we parse probabilities
+ if (parseProbs) {
+ if (curVal < 0.0 || curVal > 1.0) {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_Text(Pu) : in line i="+toString(j)
+ +" : the "+toString(j+1-i)+". value = "+toString(curVal)+" is no probability in [0,1]");
+ }
+ edValues( i-1, j-1 ) = curVal > 0
+ ? std::min(ED_UPPER_BOUND, - RT * std::log( curVal ))
+ : ED_UPPER_BOUND;
+ }
+ // or ED values
+ else {
+ if (curVal < 0.0) {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_Text(ED) : in line i="+toString(j)
+ +" : the "+toString(j+1-i)+". value = "+toString(curVal)+" is no ED value >= 0");
+ }
+ edValues( i-1, j-1 ) = std::min(ED_UPPER_BOUND, curVal);
+ }
+ } else {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_text() : in line i="+toString(j)
+ +" : could not parse the "+toString(j+1-i)+". probability");
+ }
+ }
+ // check if full line was already parsed
+ if (j < maxAvailLength || minI > 0) {
+ // skip rest till end of line
+ inStream.ignore(std::numeric_limits::max(), '\n');
+ }
+
+ // update parsing information for next run
+ lastJ = j;
+ }
+
+ // check if all needed data was parsed
+ if (lastJ < edValues.size2()) {
+ throw std::runtime_error("AccessibilityFromStream::parseRNAplfold_text() : could only parse "
+ +toString(lastJ)+" lines, but "+toString(edValues.size2())
+ +" expected (length of sequence "+getSequence().getId()+")");
+ }
+
+}
+
+/////////////////////////////////////////////////////////////////////////
diff --git a/src/AccessibilityFromStream.h b/src/AccessibilityFromStream.h
new file mode 100644
index 00000000..d2755baa
--- /dev/null
+++ b/src/AccessibilityFromStream.h
@@ -0,0 +1,188 @@
+
+#ifndef ACCESSIBILITYFROMSTREAM_H_
+#define ACCESSIBILITYFROMSTREAM_H_
+
+#include "Accessibility.h"
+
+#include
+
+#include
+
+/**
+ * Reads accessibility information from a data stream, e.g. from file or STDIN
+ *
+ */
+class AccessibilityFromStream: public Accessibility
+{
+public:
+
+ enum InStreamType {
+ Pu_RNAplfold_Text //! Pu values in RNAplfold text format
+ , ED_RNAplfold_Text //!< ED values in RNAplfold text Pu format
+ };
+
+public:
+
+ /**
+ * construction
+ * @param sequence the sequence the accessibility data is about
+ * @param maxLength the maximal length of accessible regions (>0) to be
+ * considered. 0 defaults to the full sequence's length, otherwise
+ * is is internally set to min(maxLength,seq.length).
+ * @param accConstraint if not NULL, accessibility constraint that enforces some regions
+ * to be unstructured both in sequence and interaction
+ * @param inStream the input stream to read the accessibility data from
+ * @param inStreamType inStream data type to be expected
+ * @param RT the RT constant to be used to transform the probabilities to
+ * ED values
+ */
+ AccessibilityFromStream(
+ const RnaSequence& sequence
+ , const size_t maxLength
+ , const AccessibilityConstraint * const accConstraint
+ , std::istream & inStream
+ , const InStreamType inStreamType
+ , const E_type RT
+ );
+
+
+ /**
+ * destruction
+ */
+ virtual ~AccessibilityFromStream();
+
+
+ /**
+ * Returns the accessibility energy value for the given range in the
+ * sequence, i.e. the energy difference (ED) to make the region accessible.
+ *
+ * @param from the start index of the regions (from <= to)
+ * @param to the end index of the regions (to < seq.length)
+ *
+ * @return the ED value if (j-1+1) <= maxLength or ED_UPPER_BOUND otherwise
+ *
+ * @throw std::runtime_error in case it does not hold 0 <= from <= to < seq.length
+ */
+ virtual
+ E_type
+ getED( const size_t from, const size_t to ) const;
+
+ /**
+ * Access to the maximal length of accessible regions (>0) to be considered.
+ *
+ * Here, it returns the minimum of the originally targeted interaction range
+ * and the from the data parsed maximal window size.
+ *
+ * @return the maximal length of accessible regions considered
+ */
+ virtual
+ size_t
+ getMaxLength() const;
+
+
+protected:
+
+ //! type for the ED value matrix (upper triangular matrix banded by maxLength)
+ typedef boost::numeric::ublas::banded_matrix EdMatrix;
+
+ //! the ED values for the given sequence
+ EdMatrix edValues;
+
+ //! maximal available window size
+ size_t availMaxLength;
+
+ /**
+ * Parses a VRNA unpaired probability file and fills the ED data
+ *
+ * @param inStream the stream to read the probabilities from
+ * @param RT the RT constant to be used to transform the probabilities to
+ * ED values
+ */
+ void
+ parsePu_RNAplfold_text( std::istream & inStream, const E_type RT );
+
+
+ /**
+ * Parses ED values from a VRNA unpaired probability file styled stream
+ *
+ * @param inStream the stream to read the ED values from
+ */
+ void
+ parseED_RNAplfold_text( std::istream & inStream );
+
+ /**
+ * Parses ED values from a VRNA unpaired probability file styled stream
+ *
+ * @param inStream the stream to read the ED values from
+ * @param RT the RT constant to be used to transform the probabilities to
+ * ED values
+ * @param parseProbs whether or not to expect unpaired probabilities (true)
+ * or ED values within the file
+ */
+ void
+ parseRNAplfold_text( std::istream & inStream
+ , const E_type RT
+ , const bool parseProbs );
+
+
+};
+
+/////////////////////////////////////////////////////////////////////////
+
+inline
+E_type
+AccessibilityFromStream::
+getED( const size_t from, const size_t to ) const
+{
+ // input range check
+ checkIndices(from,to);
+
+ if ((to-from+1) <= getMaxLength()) {
+ // check for constrained positions within region
+ if (!getAccConstraint().isAccessible(from, to)) {
+ // position covers a blocked position --> omit accessibility
+ return ED_UPPER_BOUND;
+ }
+ // return according ED value from the precomputed matrix
+ return edValues (from,to);
+ } else {
+ // region length exceeds maximally allowed length -> no value
+ return ED_UPPER_BOUND;
+ }
+}
+
+/////////////////////////////////////////////////////////////////////////
+
+inline
+size_t
+AccessibilityFromStream::
+getMaxLength() const
+{
+ return availMaxLength;
+}
+
+/////////////////////////////////////////////////////////////////////////
+
+inline
+void
+AccessibilityFromStream::
+parsePu_RNAplfold_text( std::istream & inStream, const E_type RT )
+{
+ parseRNAplfold_text( inStream, RT, true );
+}
+
+/////////////////////////////////////////////////////////////////////////
+
+inline
+void
+AccessibilityFromStream::
+parseED_RNAplfold_text( std::istream & inStream )
+{
+ parseRNAplfold_text( inStream, 1.0, false );
+}
+
+/////////////////////////////////////////////////////////////////////////
+
+
+
+#endif /* ACCESSIBILITYFROMSTREAM_H_ */
diff --git a/src/AccessibilityVrna.cpp b/src/AccessibilityVrna.cpp
new file mode 100644
index 00000000..69742107
--- /dev/null
+++ b/src/AccessibilityVrna.cpp
@@ -0,0 +1,451 @@
+
+#include "AccessibilityVrna.h"
+
+#include
+#include
+#include
+#include
+#include
+
+// constraint-based ED filling
+extern "C" {
+ #include
+ #include
+ #include
+}
+
+// RNAup-like ED filling
+extern "C" {
+ #include
+ #include
+ #include
+ #include
+ #include
+}
+
+// RNAplfold-like ED filling
+extern "C" {
+ #include
+ #include
+ #include
+ #include
+ #include
+ #include
+}
+
+
+/////////////////////////////////////////////////////////////////////////////
+
+AccessibilityVrna::AccessibilityVrna(
+ const RnaSequence& seq
+ , const size_t maxLength
+ , const AccessibilityConstraint * const accConstraint
+ , const VrnaHandler & vrnaHandler
+ , const size_t plFoldW
+ )
+ :
+ Accessibility( seq, maxLength, accConstraint ),
+ edValues( getSequence().size(), getSequence().size(), 0, getMaxLength() )
+{
+
+ // check if constraint given
+ // or sliding window empty
+ // or larger than sequence length
+ if ( (! getAccConstraint().isEmpty()) || (plFoldW==0) || (plFoldW >= getSequence().size()) ) {
+ if (plFoldW > 0 && plFoldW < getSequence().size() ) {
+ throw std::runtime_error("sequence '"+seq.getId()+"': accuracy constraints provided but sliding window enabled (>0), which is currently not supported");
+ }
+#if INTARNA_MULITHREADING
+ #pragma omp critical(intarna_omp_callingVRNA)
+#endif
+ {
+ // NOTE, THIS FUNCTION IS NOT THREADSAFE ...
+ fillByRNAup(vrnaHandler
+ , getAccConstraint().getMaxBpSpan()
+ );
+ // inefficient ED value computation O(n^2)*O(n^5) for debugging
+// fillByConstraints(vrnaHandler, (plFoldW==0? getSequence().size() : std::min(plFoldW,getSequence().size())), plFoldL);
+ } // omp critical(intarna_omp_callingVRNA)
+ } else {
+ // VRNA computation not completely threadsafe
+#if INTARNA_MULITHREADING
+ #pragma omp critical(intarna_omp_callingVRNA)
+#endif
+ {
+ fillByRNAplfold(vrnaHandler
+ , (plFoldW==0? getSequence().size() : std::min(plFoldW,getSequence().size()))
+ , getAccConstraint().getMaxBpSpan()
+ );
+ } // omp critical(intarna_omp_callingVRNA)
+ }
+
+
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
+AccessibilityVrna::~AccessibilityVrna()
+{
+}
+
+///////////////////////////////////////////////////////////////////////////////
+
+
+E_type
+AccessibilityVrna::
+calc_ensemble_free_energy( const int start_unfold, const int end_unfold, vrna_exp_param_s * partFoldParams )
+{
+#if IN_DEBUG_MODE
+ if (start_unfold >= 0 && end_unfold >= 0) {
+ checkIndices((size_t)start_unfold, (size_t)end_unfold);
+ } else {
+ if (start_unfold != -1 || end_unfold != -1) {
+ throw std::runtime_error("AccessibilityVienna::calc_ensemble_free_energy : range ["+toString(start_unfold)+","+toString(end_unfold)+"] not allowed");
+ }
+ }
+#endif
+
+
+ // get sequence length
+ int len = (int)getSequence().size();
+
+ // generate structure constraint
+ // ('.' = 'unconstrained' and 'x' = 'unstructured/unpaired')
+ char c_structure[len+1];
+ c_structure[len] = '\0';
+ if (start_unfold < 0) {
+ for (int i=0; i(0.,(calc_ensemble_free_energy(i,j, partFoldParams) - E_all));
+ } else {
+ // region covers constrained elements --> set to upper bound
+ edValues(i,j) = ED_UPPER_BOUND;
+ }
+
+ }
+ }
+
+}
+
+///////////////////////////////////////////////////////////////////////////////
+
+
+void
+AccessibilityVrna::
+fillByRNAplfold( const VrnaHandler &vrnaHandler
+ , const size_t plFoldW
+ , const size_t plFoldL )
+{
+#if INTARNA_MULITHREADING
+ #pragma omp critical(intarna_omp_logOutput)
+#endif
+ { VLOG(2) <<"computing accessibility via plfold routines...";}
+ // time logging
+ TIMED_FUNC_IF(timerObj, VLOG_IS_ON(9));
+
+#if IN_DEBUG_MODE
+ // check if structure constraint given
+ if ( ! getAccConstraint().isEmpty() ) {
+ throw std::runtime_error("AccessibilityVrna::fillByRNAplfold() called but structure constraint present for sequence "+getSequence().getId());
+ }
+ if (plFoldW < 3) {
+ throw std::runtime_error("AccessibilityVrna::fillByRNAplfold() : plFoldW < 3");
+ }
+#endif
+
+ // add maximal BP span
+ vrna_md_t curModel = vrnaHandler.getModel( plFoldL, plFoldW );
+
+ const int length = getSequence().size();
+
+ // copy sequence into C data structure
+ char * sequence = (char *) vrna_alloc(sizeof(char) * (length + 1));
+ for (int i=0; i( 0., -RT*std::log(prob_unpaired));
+ }
+ }
+ }
+
+ // garbage collection
+ free(pf_parameters);
+ if (pl) free(pl);
+ if (dpp) free(dpp);
+ for (int i=0; i<=length; i++) {
+ // delete allocated rows
+ if (pup[i]) free(pup[i]);
+ }
+ free(pup);
+ free(sequence);
+
+}
+
+///////////////////////////////////////////////////////////////////////////////
+
+
+void
+AccessibilityVrna::
+fillByRNAup( const VrnaHandler &vrnaHandler
+ , const size_t plFoldL )
+{
+#if INTARNA_MULITHREADING
+ #pragma omp critical(intarna_omp_logOutput)
+#endif
+ { VLOG(2) <<"computing accessibility via RNAup routines..."; }
+ // time logging
+ TIMED_FUNC_IF(timerObj, VLOG_IS_ON(9));
+
+ const int seqLength = (int)getSequence().size();
+
+ // get model
+ vrna_md_t curModel = vrnaHandler.getModel( plFoldL, seqLength );
+
+ // make model parameters accessible in VRNA2-API
+ vrna_md_defaults_reset( &curModel );
+ fold_constrained=1;
+ tetra_loop=1;
+ noLonelyPairs = curModel.noLP;
+ noGU = curModel.noGU;
+ no_closingGU = curModel.noGUclosure;
+ energy_set = curModel.energy_set;
+
+ // TODO CHECK IF TO BE CALLED OR NOT
+// update_fold_params();
+// vrna_params_subst();
+
+ //////// RNAup-like (VRNA2-API) unpaired probability calculation ///////
+
+ char * sequence = (char *) vrna_alloc(sizeof(char) * (seqLength + 1));
+ char * structure = (char *) vrna_alloc(sizeof(char) * (seqLength + 1));
+ for (int i=0; i0; i--) {
+ bool regionUnconstrained = getAccConstraint().isUnconstrained(i-1);
+ // compute only for region lengths (j-i+1) <= maxLength
+ for(int j=i; j<=std::min((int)seqLength,unstr_out->w);j++)
+ {
+ // extend knowledge about "unconstrainedness" for the region
+ regionUnconstrained = regionUnconstrained && (getAccConstraint().isUnconstrained(j-1));
+ // check if unconstrained within region (i,j)
+ if (regionUnconstrained) {
+ // compute overall unpaired probability
+ double prob_unpaired =
+ unstr_out->H[i][j-i]+
+ unstr_out->I[i][j-i]+
+ unstr_out->M[i][j-i]+
+ unstr_out->E[i][j-i];
+ // check if zero before computing its log-value
+ if ( prob_unpaired == 0.0 ) {
+ // ED value = ED_UPPER_BOUND
+ edValues(i-1,j-1) = ED_UPPER_BOUND;
+ } else {
+ // compute ED value = E(unstructured in [i,j]) - E_all
+ edValues(i-1,j-1) = std::max( 0., -RT*std::log(prob_unpaired));
+ }
+
+ } else {
+ // region covers constrained elements --> set to upper bound
+ edValues(i-1,j-1) = ED_UPPER_BOUND;
+ }
+ }
+ }
+
+ // free data
+ free_pu_contrib( unstr_out );
+
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
diff --git a/src/AccessibilityVrna.h b/src/AccessibilityVrna.h
new file mode 100644
index 00000000..fad79dfc
--- /dev/null
+++ b/src/AccessibilityVrna.h
@@ -0,0 +1,177 @@
+
+#ifndef ACCESSIBILITYVIENNA_H_
+#define ACCESSIBILITYVIENNA_H_
+
+#include "Accessibility.h"
+#include "VrnaHandler.h"
+
+#include
+
+#include
+
+
+extern "C" {
+ #include "ViennaRNA/fold_vars.h"
+ #include "ViennaRNA/params.h"
+}
+
+
+
+/**
+ * Computes accessibility energy values for _all_ _regions_ using the free
+ * energies of structure ensembles based on partition function computations
+ * via the Vienna RNA package.
+ *
+ * @author Martin Mann 2014
+ */
+class AccessibilityVrna : public Accessibility {
+
+public:
+
+
+ /**
+ * Construction
+ * @param sequence the sequence the accessibility data belongs to
+ * @param maxLength the maximal window size of accessible regions to be
+ * considered. 0 defaults to the sequence's length.
+ * @param accConstraint if not NULL, accessibility constraint that enforces some regions
+ * to be unstructured both in sequence and interaction
+ * @param vrnaHandler the VRNA parameter handler to be used
+ * @param plFoldW the sliding window size to be used for plFold computations
+ */
+ AccessibilityVrna( const RnaSequence& sequence
+ , const size_t maxLength
+ , const AccessibilityConstraint * const accConstraint
+ , const VrnaHandler & vrnaHandler
+ , const size_t plFoldW = 0
+ );
+
+ /**
+ * destruction
+ */
+ virtual ~AccessibilityVrna();
+
+ /**
+ * Returns the accessibility energy value for the given range in the
+ * sequence, i.e. the energy difference (ED) to make the region accessible.
+ *
+ * @param from the start index of the regions (from <= to)
+ * @param to the end index of the regions (to < seq.length)
+ *
+ * @return the ED value if (j-1+1) <= maxLength or ED_UPPER_BOUND otherwise
+ *
+ * @throw std::runtime_error in case it does not hold 0 <= from <= to < seq.length
+ */
+ virtual
+ E_type
+ getED( const size_t from, const size_t to ) const;
+
+protected:
+
+ //! type for the ED value matrix (upper triangular matrix banded by maxLength)
+ typedef boost::numeric::ublas::banded_matrix EdMatrix;
+
+ //! the ED values for the given sequence
+ EdMatrix edValues;
+
+ /**
+ * Computes the free energy of the structure ensemble that is unstructured
+ * in the region [start_unfold,end_unfold] including the boundaries.
+ * If start and end are set to -1 the full structure ensemble without
+ * constraints is considered.
+ *
+ * @param start_unfold first position to be unstructured, or -1 if no
+ * structure constraint is to be set
+ * @param end_unfold last position to be unstructured, or -1 if no
+ * structure constraint is to be set
+ * @param partFoldParams the folding parameters to be used
+ *
+ * @return the energy of the structure ensemble
+ */
+ E_type
+ calc_ensemble_free_energy(
+ const int start_unfold
+ , const int end_unfold
+ , vrna_exp_param_s * partFoldParams
+ );
+
+ /**
+ * Computes a scaling factor to avoid overflow in partition function
+ * computation.
+ *
+ * @param seq the sequence the parameter is for
+ * @param vrnaHandler the VRNA handler to be used
+ * @param plFoldL the maximal base pair span to be used or 0 for plFoldW
+ */
+ double
+ getPfScale( const RnaSequence & seq
+ , const VrnaHandler & vrnaHandler
+ , const size_t plFoldL );
+
+
+ /**
+ * Use the old intaRNA way using n^2 constrained folding to fill ED-values
+ *
+ * @param vrnaHandler the VRNA handler to be used
+ * @param plFoldL the maximal base pair span to be used or 0 for plFoldW
+ */
+ void
+ fillByConstraints( const VrnaHandler &vrnaHandler
+ , const size_t plFoldL );
+
+ /**
+ * Use RNAup-like style to fill ED-values
+ *
+ * @param vrnaHandler the VRNA handler to be used
+ * @param plFoldL the maximal base pair span to be used or 0 for plFoldW
+ */
+ void
+ fillByRNAup( const VrnaHandler &vrnaHandler
+ , const size_t plFoldL );
+
+ /**
+ * Use RNAplfold-like style to fill ED-values
+ *
+ * @param vrnaHandler the VRNA handler to be used
+ * @param plFoldW the sliding window size to be used or 0 for full length
+ * @param plFoldL the maximal base pair span to be used or 0 for plFoldW
+ */
+ void
+ fillByRNAplfold( const VrnaHandler &vrnaHandler
+ , const size_t plFoldW
+ , const size_t plFoldL );
+
+
+};
+
+
+/////////////////////////////////////////////////////////////////////////////
+/////////////////////////////////////////////////////////////////////////////
+/////////////////////////////////////////////////////////////////////////////
+
+inline
+E_type
+AccessibilityVrna::
+getED( const size_t from, const size_t to ) const
+{
+ // input range check
+ checkIndices(from,to);
+
+ if ((to-from+1) <= getMaxLength()) {
+ // check for constrained positions within region
+ if (!getAccConstraint().isAccessible(from,to)) {
+ // position covers a blocked position --> omit accessibility
+ return ED_UPPER_BOUND;
+ }
+ // return according ED value from the precomputed matrix
+ return edValues (from,to);
+ } else {
+ // region length exceeds maximally allowed length -> no value
+ return ED_UPPER_BOUND;
+ }
+}
+
+/////////////////////////////////////////////////////////////////////////////
+
+
+#endif /* ACCESSIBILITYVIENNA_H_ */
diff --git a/src/CommandLineParsing.cpp b/src/CommandLineParsing.cpp
new file mode 100644
index 00000000..123a1757
--- /dev/null
+++ b/src/CommandLineParsing.cpp
@@ -0,0 +1,1614 @@
+
+#include "CommandLineParsing.h"
+
+#include "general.h"
+
+#include
+#include
+#include
+
+#if INTARNA_MULITHREADING
+ #include
+#endif
+
+#include
+#include
+#include
+#include
+#include
+
+#include "AccessibilityConstraint.h"
+
+#include "AccessibilityDisabled.h"
+#include "AccessibilityFromStream.h"
+#include "AccessibilityVrna.h"
+
+#include "InteractionEnergyBasePair.h"
+#include "InteractionEnergyVrna.h"
+
+#include "PredictorMfe2dHeuristic.h"
+#include "PredictorMfe2d.h"
+#include "PredictorMfe4d.h"
+#include "PredictorMaxProb.h"
+
+#include "PredictorMfe2dHeuristicSeed.h"
+#include "PredictorMfe2dSeed.h"
+#include "PredictorMfe4dSeed.h"
+
+#include "OutputHandlerText.h"
+#include "OutputHandlerCsv.h"
+#include "OutputHandlerIntaRNA1.h"
+
+
+
+
+
+////////////////////////////////////////////////////////////////////////////
+
+const std::string CommandLineParsing::outCsvCols_default = "id1,start1,end1,id2,start2,end2,subseqDP,hybridDP,E";
+
+////////////////////////////////////////////////////////////////////////////
+
+CommandLineParsing::CommandLineParsing()
+ :
+ stdinUsed(false),
+ opts_query("Query"),
+ opts_target("Target"),
+ opts_seed("Seed"),
+ opts_inter("Interaction"),
+ opts_general("General"),
+ opts_output("Output"),
+ opts_cmdline_all(),
+ opts_cmdline_short(),
+
+ parsingCode(NOT_PARSED_YET),
+
+ queryArg(""),
+ query(),
+ qAcc("NCPE",'C'),
+ qAccW( 0, 99999, 150),
+ qAccL( 0, 99999, 100),
+ qAccConstr(""),
+ qAccFile(""),
+ qIntLenMax( 0, 99999, 0),
+ qIntLoopMax( 0, 30, 16),
+ qRegionString(""),
+ qRegion(),
+
+ targetArg(""),
+ target(),
+ tAcc("NCPE",'C'),
+ tAccW( 0, 99999, 150),
+ tAccL( 0, 99999, 100),
+ tAccConstr(""),
+ tAccFile(""),
+ tIntLenMax( 0, 99999, 0),
+ tIntLoopMax( 0, 30, 16),
+ tRegionString(""),
+ tRegion(),
+
+ noSeedRequired(false),
+ seedBP(2,20,7),
+ seedMaxUP(0,20,0),
+ seedQMaxUP(-1,20,-1),
+ seedTMaxUP(-1,20,-1),
+ seedMaxE(-999,+999,0),
+ seedMinPu(0,1,0),
+ seedQRange(""),
+ seedTRange(""),
+ seedConstraint(NULL),
+
+ temperature(0,100,37),
+
+ pred( "SP", 'S'),
+ predMode( "HME", 'H'),
+#if INTARNA_MULITHREADING
+ threads( 1, omp_get_max_threads(), 1),
+#endif
+
+ energy("BV",'V'),
+ energyFile(""),
+
+ out("STDOUT"),
+ outStream(&(std::cout)),
+ outMode( "NDC1O", 'N' ),
+ outNumber( 0, 1000, 1),
+ outOverlap( "NTQB", 'Q' ),
+ outDeltaE( 0.0, 100.0, 100.0),
+ outMaxE( -999.0, +999.0, 0.0),
+ outCsvCols(outCsvCols_default),
+ outQAccFile(""),
+ outTAccFile(""),
+ outQPuFile(""),
+ outTPuFile(""),
+
+ vrnaHandler()
+
+{
+ using namespace boost::program_options;
+
+
+ //// QUERY SEQUENCE OPTIONS ////////////////////////////////////
+
+ opts_query.add_options()
+ ("query,q"
+ , value(&queryArg)
+ ->required()
+ ->notifier(boost::bind(&CommandLineParsing::validate_query,this,_1))
+ , "either an RNA sequence or the stream/file name from where to read the query sequences (should be the shorter sequences to increase efficiency); use 'STDIN' to read from standard input stream; sequences have to use IUPAC nucleotide encoding")
+ ("qAcc"
+ , value(&(qAcc.val))
+ ->default_value(qAcc.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_qAcc,this,_1))
+ , std::string("accessibility computation : 'N'o accessibility contributions"
+ ", 'C' computation of accessibilities"
+ ", 'P' unpaired probabilities in RNAplfold format from --qAccFile"
+ ", 'E' ED values in RNAplfold Pu-like format from --qAccFile"
+ ).c_str())
+ ("qAccW"
+ , value(&(qAccW.val))
+ ->default_value(qAccW.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_qAccW,this,_1))
+ , std::string("accessibility computation : sliding window size for query accessibility computation (arg in range ["+toString(qAccW.min)+","+toString(qAccW.max)+"]; 0 defaults to the full sequence length)").c_str())
+ ("qAccL"
+ , value(&(qAccL.val))
+ ->default_value(qAccL.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_qAccL,this,_1))
+ , std::string("accessibility computation : sliding window size for query accessibility computation (arg in range ["+toString(qAccL.min)+","+toString(qAccL.max)+"]; 0 defaults to sliding window size 'qAccW')").c_str())
+ ;
+ opts_cmdline_short.add(opts_query);
+ opts_query.add_options()
+ ("qAccConstr"
+ , value(&(qAccConstr))
+ ->notifier(boost::bind(&CommandLineParsing::validate_qAccConstr,this,_1))
+ , std::string("accessibility computation : structure constraint for each sequence position: '.' no constraint, '"+toString(AccessibilityConstraint::dotBracket_accessible)+"' unpaired, '"+toString(AccessibilityConstraint::dotBracket_blocked)+"' blocked. Note, blocked positions are excluded from interaction prediction and considered unpaired!").c_str())
+ ("qAccFile"
+ , value(&(qAccFile))
+ ->notifier(boost::bind(&CommandLineParsing::validate_qAccFile,this,_1))
+ , std::string("accessibility computation : if --qAcc is to be read from file, the file/stream to be parsed. Used 'STDIN' if to read from standard input stream.").c_str())
+ ("qIntLenMax"
+ , value(&(qIntLenMax.val))
+ ->default_value(qIntLenMax.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_qIntLenMax,this,_1))
+ , std::string("interaction site : maximal window size to be considered"
+ " for interaction (and thus accessible) within the query"
+ " (arg in range ["+toString(qIntLenMax.min)+","+toString(qIntLenMax.max)+"];"
+ " 0 defaults to the full sequence length)"
+ " If --qAccW is provided, the smaller window size of both is used."
+ ).c_str())
+ ("qIntLoopMax"
+ , value(&(qIntLoopMax.val))
+ ->default_value(qIntLoopMax.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_qIntLoopMax,this,_1))
+ , std::string("interaction site : maximal number of unpaired bases between neighbored interacting bases to be considered in interactions within the query (arg in range ["+toString(qIntLoopMax.min)+","+toString(qIntLoopMax.max)+"]; 0 enforces stackings only)").c_str())
+ ("qRegion"
+ , value(&(qRegionString))
+ ->notifier(boost::bind(&CommandLineParsing::validate_qRegion,this,_1))
+ , std::string("interaction site : query regions to be considered for interaction prediction. Either given as BED file (for multi-sequence FASTA input) or in the format 'from1-to1,from2-to2,..' assuming indexing starts with 1").c_str())
+ ;
+
+ //// TARGET SEQUENCE OPTIONS ////////////////////////////////////
+
+ opts_target.add_options()
+ ("target,t"
+ , value(&targetArg)
+ ->required()
+ ->notifier(boost::bind(&CommandLineParsing::validate_target,this,_1))
+ , "either an RNA sequence or the stream/file name from where to read the target sequences (should be the longer sequences to increase efficiency); use 'STDIN' to read from standard input stream; sequences have to use IUPAC nucleotide encoding")
+ ("tAcc"
+ , value(&(tAcc.val))
+ ->default_value(tAcc.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_tAcc,this,_1))
+ , std::string("accessibility computation : 'N'o accessibility contributions"
+ ", 'C' computation of accessibilities"
+ ", 'P' unpaired probabilities in RNAplfold format from --tAccFile"
+ ", 'E' ED values in RNAplfold Pu-like format from --tAccFile"
+ ).c_str())
+ ("tAccW"
+ , value(&(tAccW.val))
+ ->default_value(tAccW.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_tAccW,this,_1))
+ , std::string("accessibility computation : sliding window size for query accessibility computation (arg in range ["+toString(tAccW.min)+","+toString(tAccW.max)+"]; 0 defaults to the full sequence length)").c_str())
+ ("tAccL"
+ , value(&(tAccL.val))
+ ->default_value(tAccL.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_tAccL,this,_1))
+ , std::string("accessibility computation : sliding window size for query accessibility computation (arg in range ["+toString(tAccL.min)+","+toString(tAccL.max)+"]; 0 defaults to sliding window size 'tAccW')").c_str())
+ ;
+ opts_cmdline_short.add(opts_target);
+ opts_target.add_options()
+ ("tAccConstr"
+ , value(&(tAccConstr))
+ ->notifier(boost::bind(&CommandLineParsing::validate_tAccConstr,this,_1))
+ , std::string("accessibility computation : structure constraint for each sequence position: '.' no constraint, '"+toString(AccessibilityConstraint::dotBracket_accessible)+"' unpaired, '"+toString(AccessibilityConstraint::dotBracket_blocked)+"' blocked. Note, blocked positions are excluded from interaction prediction and considered unpaired!").c_str())
+ ("tAccFile"
+ , value(&(tAccFile))
+ ->notifier(boost::bind(&CommandLineParsing::validate_tAccFile,this,_1))
+ , std::string("accessibility computation : if --tAcc is to be read from file, the file/stream to be parsed. Used 'STDIN' if to read from standard input stream.").c_str())
+ ("tIntLenMax"
+ , value(&(tIntLenMax.val))
+ ->default_value(tIntLenMax.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_tIntLenMax,this,_1))
+ , std::string("interaction site : maximal window size to be considered for"
+ " interaction (and thus accessible) within the target"
+ " (arg in range ["+toString(tIntLenMax.min)+","+toString(tIntLenMax.max)+"];"
+ " 0 defaults to the full sequence length)."
+ " If --tAccW is provided, the smaller window size of both is used."
+ ).c_str())
+ ("tIntLoopMax"
+ , value(&(tIntLoopMax.val))
+ ->default_value(tIntLoopMax.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_tIntLoopMax,this,_1))
+ , std::string("interaction site : maximal number of unpaired bases between neighbored interacting bases to be considered in interactions within the target (arg in range ["+toString(tIntLoopMax.min)+","+toString(tIntLoopMax.max)+"]; 0 enforces stackings only)").c_str())
+ ("tRegion"
+ , value(&(tRegionString))
+ ->notifier(boost::bind(&CommandLineParsing::validate_tRegion,this,_1))
+ , std::string("interaction site : target regions to be considered for interaction prediction. Either given as BED file (for multi-sequence FASTA input) or in the format 'from1-to1,from2-to2,..' assuming indexing starts with 1").c_str())
+ ;
+
+ //// SEED OPTIONS ////////////////////////////////////
+
+
+ opts_seed.add_options()
+ ("noSeed", "if present, no seed is enforced within the predicted interactions")
+
+ ("seedBP"
+ , value(&(seedBP.val))
+ ->default_value(seedBP.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_seedBP,this,_1))
+ , std::string("number of inter-molecular base pairs within the seed region (arg in range ["+toString(seedBP.min)+","+toString(seedBP.max)+"])").c_str())
+ ("seedMaxUP"
+ , value(&(seedMaxUP.val))
+ ->default_value(seedMaxUP.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_seedMaxUP,this,_1))
+ , std::string("maximal overall number (query+target) of unpaired bases within the seed region (arg in range ["+toString(seedMaxUP.min)+","+toString(seedMaxUP.max)+"])").c_str())
+ ;
+ opts_cmdline_short.add(opts_seed);
+ opts_seed.add_options()
+ ("seedQMaxUP"
+ , value(&(seedQMaxUP.val))
+ ->default_value(seedQMaxUP.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_seedQMaxUP,this,_1))
+ , std::string("maximal number of unpaired bases within the query's seed region (arg in range ["+toString(seedQMaxUP.min)+","+toString(seedQMaxUP.max)+"]); if -1 the value of seedMaxUP is used.").c_str())
+ ("seedTMaxUP"
+ , value(&(seedTMaxUP.val))
+ ->default_value(seedTMaxUP.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_seedTMaxUP,this,_1))
+ , std::string("maximal number of unpaired bases within the target's seed region (arg in range ["+toString(seedTMaxUP.min)+","+toString(seedTMaxUP.max)+"]); if -1 the value of seedMaxUP is used.").c_str())
+ ("seedMaxE"
+ , value(&(seedMaxE.val))
+ ->default_value(seedMaxE.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_seedMaxE,this,_1))
+ , std::string("maximal energy a seed region may have (arg in range ["+toString(seedMaxE.min)+","+toString(seedMaxE.max)+"]).").c_str())
+ ("seedMinPu"
+ , value(&(seedMinPu.val))
+ ->default_value(seedMinPu.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_seedMinPu,this,_1))
+ , std::string("minimal unpaired probability (per sequence) a seed region may have (arg in range ["+toString(seedMinPu.min)+","+toString(seedMinPu.max)+"]).").c_str())
+ ("seedQRange"
+ , value(&(seedQRange))
+ ->notifier(boost::bind(&CommandLineParsing::validate_seedQRange,this,_1))
+ , std::string("interval(s) in the query to search for seeds in format 'from1-to1,from2-to2,...' (Note, only for single query)").c_str())
+ ("seedTRange"
+ , value(&(seedTRange))
+ ->notifier(boost::bind(&CommandLineParsing::validate_seedTRange,this,_1))
+ , std::string("interval(s) in the target to search for seeds in format 'from1-to1,from2-to2,...' (Note, only for single target)").c_str())
+ ;
+
+ //// INTERACTION/ENERGY OPTIONS ////////////////////////
+
+ opts_inter.add_options()
+ ("mode,m"
+ , value(&(predMode.val))
+ ->default_value(predMode.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_predMode,this,_1))
+ , std::string("prediction mode : "
+ "'H' = heuristic (fast and low memory), "
+ "'M' = exact and low memory, "
+ "'E' = exact (high memory)"
+ ).c_str())
+ ;
+ opts_cmdline_short.add(opts_inter);
+ opts_inter.add_options()
+ ("pred"
+ , value(&(pred.val))
+ ->default_value(pred.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_pred,this,_1))
+ , std::string("prediction target : "
+ "'S' = single-site minimum-free-energy interaction (interior loops only), "
+ "'P' = single-site maximum-probability interaction (interior loops only)"
+ ).c_str())
+ ("energy,e"
+ , value(&(energy.val))
+ ->default_value(energy.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_energy,this,_1))
+ , std::string("energy computation : 'B'ase pair == -1, or 'V' VRNA-based computation (see --energVRNA)").c_str())
+ ("energyVRNA"
+ , value(&energyFile)
+ ->notifier(boost::bind(&CommandLineParsing::validate_energyFile,this,_1))
+ , std::string("energy parameter file of VRNA package to be used. If not provided, the default parameter set of the linked Vienna RNA package is used.").c_str())
+ ("temperature"
+ , value(&(temperature.val))
+ ->default_value(temperature.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_temperature,this,_1))
+ , std::string("temperature in Celsius to setup the VRNA energy parameters (arg in range ["+toString(temperature.min)+","+toString(temperature.max)+"])").c_str())
+ ;
+
+
+ //// OUTPUT OPTIONS ////////////////////////////////////
+
+ opts_output.add_options()
+ ("out"
+ , value(&(out))
+ ->default_value(out)
+ ->notifier(boost::bind(&CommandLineParsing::validate_out,this,_1))
+ , std::string("output : provide a file name for output (will be overwritten) or 'STDOUT/STDERR' to write to the according stream").c_str())
+ ("outMode"
+ , value(&(outMode.val))
+ ->default_value(outMode.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_outMode,this,_1))
+ , std::string("output mode :"
+ " 'N' normal output (ASCII char + energy),"
+ " 'D' detailed output (ASCII char + energy/position details),"
+ " 'C' CSV output (see --outCsvCols),"
+ " '1' backward compatible IntaRNA v1.* normal output,"
+ " 'O' backward compatible IntaRNA v1.* detailed output (former -o)"
+ ).c_str())
+ ("outNumber,n"
+ , value(&(outNumber.val))
+ ->default_value(outNumber.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_outNumber,this,_1))
+ , std::string("maximal overall number (query+target) of unpaired bases within the seed region (arg in range ["+toString(outNumber.min)+","+toString(outNumber.max)+"])").c_str())
+ ("outOverlap"
+ , value(&(outOverlap.val))
+ ->default_value(outOverlap.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_outOverlap,this,_1))
+ , std::string("suboptimal output : interactions can overlap "
+ "(N) in none of the sequences, "
+ "(T) in the target only, "
+ "(Q) in the query only, "
+ "(B) in both sequences").c_str())
+ ;
+ opts_cmdline_short.add(opts_output);
+ opts_output.add_options()
+ ("outMaxE"
+ , value(&(outMaxE.val))
+ ->default_value(outMaxE.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_outMaxE,this,_1))
+ , std::string("only interactions with E <= maxE are reported").c_str())
+ ("outDeltaE"
+ , value(&(outDeltaE.val))
+ ->default_value(outDeltaE.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_outDeltaE,this,_1))
+ , std::string("suboptimal output : only interactions with E <= (minE+deltaE) are reported").c_str())
+ ("outCsvCols"
+ , value(&(outCsvCols))
+ ->default_value(outCsvCols)
+ ->notifier(boost::bind(&CommandLineParsing::validate_outCsvCols,this,_1))
+ , std::string("output : comma separated list of CSV column IDs to print if outMode=CSV."
+ " An empty argument prints all possible columns from the following available ID list: "
+ + boost::replace_all_copy(OutputHandlerCsv::list2string(OutputHandlerCsv::string2list("")), ",", ", ")
+ ).c_str())
+ ("outQAccFile"
+ , value(&(outQAccFile))
+ ->notifier(boost::bind(&CommandLineParsing::validate_outQAccFile,this,_1))
+ , std::string("output : writes the query's ED values to the given file/stream"
+ " in a format similar to RNAplfold unpaired probability output."
+ " Use STDOUT/STDERR to write to the respective output stream."
+ ).c_str())
+ ("outTAccFile"
+ , value(&(outTAccFile))
+ ->notifier(boost::bind(&CommandLineParsing::validate_outTAccFile,this,_1))
+ , std::string("output : writes the target's ED values to the given file/stream"
+ " in a format similar to RNAplfold unpaired probability output."
+ " Use STDOUT/STDERR to write to the respective output stream."
+ ).c_str())
+ ("outQPuFile"
+ , value(&(outQPuFile))
+ ->notifier(boost::bind(&CommandLineParsing::validate_outQPuFile,this,_1))
+ , std::string("output : writes the query's unpaired probabilities used for ED values to the given file/stream"
+ " in RNAplfold unpaired probability output format."
+ " Use STDOUT/STDERR to write to the respective output stream."
+ ).c_str())
+ ("outTPuFile"
+ , value(&(outTPuFile))
+ ->notifier(boost::bind(&CommandLineParsing::validate_outTPuFile,this,_1))
+ , std::string("output : writes the target's unpaired probabilities used for ED values to the given file/stream"
+ " in RNAplfold unpaired probability output format."
+ " Use STDOUT/STDERR to write to the respective output stream."
+ ).c_str())
+ ("verbose,v", "verbose output") // handled via easylogging++
+// (logFile_argument.c_str(), "name of log file to be used for output")
+ ;
+
+ //// GENERAL OPTIONS ////////////////////////////////////
+
+ opts_general.add_options()
+#if INTARNA_MULITHREADING
+ ("threads"
+ , value(&(threads.val))
+ ->default_value(threads.def)
+ ->notifier(boost::bind(&CommandLineParsing::validate_threads,this,_1))
+ , std::string("maximal number of threads to be used for parallel computation of query-target-combinations."
+ " Note, the number of threads multiplies the required memory used for computation!"
+ " (arg in range ["+toString(threads.min)+","+toString(threads.max)+"])").c_str())
+#endif
+ ("version", "print version")
+ ("help,h", "show the help page for basic parameters")
+ ("fullhelp", "show the extended help page for all available parameters")
+ ;
+ opts_cmdline_short.add(opts_general);
+
+ //// GENERAL OPTIONS ////////////////////////////////////
+
+ opts_cmdline_all.add(opts_query).add(opts_target).add(opts_seed).add(opts_inter).add(opts_output).add(opts_general);
+
+
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+CommandLineParsing::~CommandLineParsing() {
+
+ CLEANUP(seedConstraint);
+
+ if (outStream != &std::cout && outStream != &std::cerr) {
+ std::fstream *outFileStream = dynamic_cast(outStream);
+ assert(outFileStream != NULL);
+ // flush and close file stream
+ outFileStream->flush();
+ outFileStream->close();
+ // delete file handler
+ CLEANUP(outFileStream);
+ }
+ // reset output stream
+ outStream = & std::cout;
+
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+CommandLineParsing::ReturnCode
+CommandLineParsing::
+parse(int argc, char** argv)
+{
+
+ // init: nothing parsed yet
+ parsingCode = ReturnCode::NOT_PARSED_YET;
+
+ using namespace boost::program_options;
+
+ variables_map vm;
+ try {
+ int parseStyle =
+ command_line_style::style_t::allow_long
+ | command_line_style::style_t::long_allow_adjacent
+ | command_line_style::style_t::long_allow_next
+ | command_line_style::style_t::allow_short
+ | command_line_style::style_t::allow_dash_for_short
+ | command_line_style::style_t::short_allow_next
+ | command_line_style::style_t::case_insensitive
+ ;
+ store( parse_command_line(argc, argv, opts_cmdline_all, parseStyle), vm);
+ // parsing fine so far
+ parsingCode = ReturnCode::KEEP_GOING;
+ } catch (error& e) {
+ LOG(ERROR) <(out,std::locale());
+ // check if standard stream
+ if (boost::iequals(out,"STDOUT")) {
+ outStream = & std::cout;
+ } else
+ if (boost::iequals(out,"STDERR")) {
+ outStream = & std::cerr;
+ } else {
+ // open file stream
+ std::fstream * outFileStream = new std::fstream();
+ outFileStream->open( out.c_str(), std::ios_base::out );
+ if (!outFileStream->is_open()) {
+ delete outFileStream;
+ LOG(ERROR) <<"could not open output file --out='"< 0;
+ if (noSeedRequired) {
+ // input sanity check : maybe seed constraints defined -> warn
+ if (seedBP.val != seedBP.def) LOG(INFO) <<"no seed constraint wanted, but seedBP provided (will be ignored)";
+ if (seedMaxUP.val != seedMaxUP.def) LOG(INFO) <<"no seed constraint wanted, but seedMaxUP provided (will be ignored)";
+ if (seedQMaxUP.val != seedQMaxUP.def) LOG(INFO) <<"no seed constraint wanted, but seedQMaxUP provided (will be ignored)";
+ if (seedTMaxUP.val != seedTMaxUP.def) LOG(INFO) <<"no seed constraint wanted, but seedTMaxUP provided (will be ignored)";
+ if (seedMaxE.val != seedMaxE.def) LOG(INFO) <<"no seed constraint wanted, but seedMaxE provided (will be ignored)";
+ if (seedMinPu.val != seedMinPu.def) LOG(INFO) <<"no seed constraint wanted, but seedMinPu provided (will be ignored)";
+ if (!seedQRange.empty()) LOG(INFO) <<"no seed constraint wanted, but seedQRange provided (will be ignored)";
+ if (!seedTRange.empty()) LOG(INFO) <<"no seed constraint wanted, but seedTRange provided (will be ignored)";
+ } else {
+ // check query search ranges
+ if (!seedQRange.empty()) {
+ if (query.size()!=1) {
+ LOG(ERROR) <<"seedQRange given but not only one query sequence provided";
+ updateParsingCode(ReturnCode::STOP_PARSING_ERROR);
+ } else {
+ validate_indexRangeList("seedQRange",seedQRange, 1, query.begin()->size());
+ }
+ }
+ // check target search ranges
+ if (!seedTRange.empty()) {
+ if (target.size()!=1) {
+ LOG(ERROR) <<"seedTRange given but not only one target sequence provided";
+ updateParsingCode(ReturnCode::STOP_PARSING_ERROR);
+ } else {
+ validate_indexRangeList("seedTRange",seedTRange, 1, target.begin()->size());
+ }
+ }
+
+ // check for minimal sequence length (>=seedBP)
+ for( size_t i=0; i 0) {
+ // only for single sequence input supported
+ if (validateSequenceNumber("qAccConstr",query,1,1)) {
+ // check length
+ if (qAccConstr.size() != query.at(0).size()) {
+ throw error("qAccConstr and query sequence differ in size");
+ }
+ } else {
+ // TODO report error
+ NOTIMPLEMENTED("--qAccConstr only supported for single sequence input");
+ }
+ } else {
+ // generate empty constraint
+ qAccConstr = std::string(query.at(0).size(),'.');
+ }
+ // check tAccConstr - target sequence compatibility
+ if (vm.count("tAccConstr") > 0) {
+ // only for single sequence input supported
+ if (validateSequenceNumber("tAccConstr",target,1,1)) {
+ // check length
+ if (tAccConstr.size() != target.at(0).size()) {
+ throw error("tAccConstr and target sequence differ in size");
+ }
+ } else {
+ // TODO report error
+ NOTIMPLEMENTED("--tAccConstr only supported for single sequence input");
+ }
+ } else {
+ // generate empty constraint
+ tAccConstr = std::string(target.at(0).size(),'.');
+ }
+
+ // check sanity of accessibility setup
+ switch(qAcc.val) {
+ case 'C' : {
+ if (!qAccFile.empty()) LOG(INFO) <<"qAcc = "<1) throw std::runtime_error("qAcc = "+toString(qAcc.val)+" only supported for single query sequence input");
+ } // drop to next handling
+ case 'N' : {
+ if (qAccL.val != qAccL.def) LOG(INFO) <<"qAcc = "<1) throw std::runtime_error("tAcc = "+toString(tAcc.val)+" only supported for single target sequence input");
+ } // drop to next handling
+ case 'N' : {
+ if (tAccL.val != tAccL.def) LOG(INFO) <<"tAcc = "< 0 && energy.val != 'V') {
+ throw error("--energyVRNA provided but no VRNA energy computation (V) requested (--energy = "+toString(energy.val)+")");
+ }
+
+ // check qAcc upper bound
+ if (qAccL.val > qAccW.val && qAccW.val != 0) {
+ LOG(ERROR) <<"qAccL = " < tAccW.val && tAccW.val != 0) {
+ LOG(ERROR) <<"tAccL = " <1) throw std::runtime_error("--outQAccFile only supported for single query sequence input");
+ if (!outTAccFile.empty() && getTargetSequences().size()>1) throw std::runtime_error("--outTAccFile only supported for single target sequence input");
+ if (!outQPuFile.empty() && getQuerySequences().size()>1) throw std::runtime_error("--outQPuFile only supported for single query sequence input");
+ if (!outTPuFile.empty() && getTargetSequences().size()>1) throw std::runtime_error("--outTPuFile only supported for single target sequence input");
+
+#if INTARNA_MULITHREADING
+ // check if multi-threading
+ if (threads.val > 1 && getTargetSequences().size() > 1) {
+ // warn if >= 4D space prediction enabled
+ if (pred.val != 'S' || predMode.val == 'E') {
+ LOG(WARNING) <<"Multi-threading enabled in high-mem-prediction mode : ensure you have enough memory available!";
+ }
+ if (outMode.val == '1' || outMode.val == 'O') {
+ throw std::runtime_error("Multi-threading not supported for IntaRNA v1 output");
+ }
+ }
+#endif
+
+ // trigger initial output handler output
+ initOutputHandler();
+
+ } catch (error& e) {
+ LOG(ERROR) < 0 ? & energyFile : NULL) );
+ }
+
+
+ // return validate_* dependent parsing code
+ return parsingCode;
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+void
+CommandLineParsing::
+validate_charArgument(const std::string & name, const CommandLineParsing::CharParameter& param, const char & value)
+{
+ // alphabet check
+ if ( ! param.isInAlphabet(value) ) {
+ LOG(ERROR) <<""<isAscending()) {
+ LOG(ERROR) <to < indexMin || i->to > indexMax) {
+ LOG(ERROR) <0);
+ // push full range
+ r.push_back( IndexRange(0,sequences.at(s++).size()-1) );
+ }
+ return;
+ } else
+ // check direct range input
+ if (boost::regex_match( value, IndexRangeList::regex, boost::match_perl )) {
+ // ensure single sequence input
+ if(sequences.size() != 1) {
+ LOG(ERROR) <size());
+ // ensure range list size sufficient
+ rangeList.resize(1);
+ // fill range list from string but shift by -1
+ rangeList[0] = IndexRangeList( value ).shift(-1, sequences.begin()->size()-1);
+ return;
+ }
+ // might be BED file input
+ if ( validateFile( value ) ) {
+ NOTIMPLEMENTED("BED file input for index range list not implemented");
+ return;
+ }
+ assert(false) /*should never happen*/;
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+const CommandLineParsing::RnaSequenceVec &
+CommandLineParsing::
+getQuerySequences() const
+{
+ checkIfParsed();
+ return query;
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+const CommandLineParsing::RnaSequenceVec &
+CommandLineParsing::
+getTargetSequences() const
+{
+ checkIfParsed();
+ return target;
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+Accessibility*
+CommandLineParsing::
+getQueryAccessibility( const size_t sequenceNumber ) const
+{
+ checkIfParsed();
+ // input check
+ if (sequenceNumber >= getQuerySequences().size()) {
+ throw std::runtime_error("CommandLineParsing::getQueryAccessibility : sequence number "+toString(sequenceNumber)+" is out of range (<"+toString(getQuerySequences().size())+")");
+ }
+ const RnaSequence& seq = getQuerySequences().at(sequenceNumber);
+
+ // create temporary constraint object (will be copied)
+ AccessibilityConstraint accConstraint(qAccConstr,qAccL.val);
+ // construct selected accessibility object
+ switch(qAcc.val) {
+
+ case 'N' : // no accessibility
+ return new AccessibilityDisabled( seq
+ , qIntLenMax.val
+ , &accConstraint );
+
+ case 'E' : // drop to next handling
+ case 'P' : { // VRNA RNAplfold unpaired probability file output
+ std::istream * accStream = NULL;
+ std::ifstream * accFileStream = NULL;
+ if ( boost::iequals(qAccFile,"STDIN") ) {
+ accStream = &(std::cin);
+ } else {
+ // file support
+ accFileStream = new std::ifstream(qAccFile);
+ try {
+ if(!accFileStream->good()){
+ accFileStream->close();
+ CLEANUP(accFileStream);
+ throw std::runtime_error("accessibility parsing of --qAccFile : could not open file '"+qAccFile+"'");
+ }
+ } catch (std::exception & ex) {
+ accFileStream->close();
+ CLEANUP(accFileStream);
+ throw std::runtime_error("accessibility parsing of --qAccFile : error while opening '"+qAccFile+"' : "+ex.what());
+ }
+ // set file stream as input stream
+ accStream = accFileStream;
+ }
+ Accessibility * acc = new AccessibilityFromStream( seq
+ , qIntLenMax.val
+ , &accConstraint
+ , *accStream
+ , (qAcc.val == 'P' ? AccessibilityFromStream::Pu_RNAplfold_Text : AccessibilityFromStream::ED_RNAplfold_Text)
+ , vrnaHandler.getRT() );
+ // cleanup
+ if ( accFileStream != NULL ) {
+ accFileStream->close();
+ CLEANUP( accFileStream );
+ }
+ return acc;
+ }
+
+ case 'C' : // compute VRNA-based accessibilities
+ switch( energy.val ) {
+ // TODO 'B'
+ case 'V' : // VRNA-based accessibilities
+ return new AccessibilityVrna( seq
+ , std::min( qIntLenMax.val == 0 ? seq.size() : qIntLenMax.val
+ , qAccW.val == 0 ? seq.size() : qAccW.val )
+ , &accConstraint
+ , vrnaHandler
+ , qAccW.val
+ );
+ default :
+ NOTIMPLEMENTED("query accessibility computation not implemented for energy = '"+toString(energy.val)+"'. Disable via --qAcc=N.");
+ } break;
+ default :
+ NOTIMPLEMENTED("CommandLineParsing::getQueryAccessibility : qAcc = '"+toString(qAcc.val)+"' is not supported");
+ }
+ return NULL;
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+Accessibility*
+CommandLineParsing::
+getTargetAccessibility( const size_t sequenceNumber ) const
+{
+ checkIfParsed();
+ // input check
+ if (sequenceNumber >= getTargetSequences().size()) {
+ throw std::runtime_error("CommandLineParsing::getTargetAccessibility : sequence number "+toString(sequenceNumber)+" is out of range (<"+toString(getTargetSequences().size())+")");
+ }
+ // create temporary constraint object (will be copied)
+ AccessibilityConstraint accConstraint(tAccConstr,tAccL.val);
+ const RnaSequence& seq = getTargetSequences().at(sequenceNumber);
+ switch(tAcc.val) {
+
+ case 'N' : // no accessibility
+ return new AccessibilityDisabled( seq
+ , tIntLenMax.val
+ , &accConstraint );
+
+ case 'E' : // drop to next handling
+ case 'P' : { // VRNA RNAplfold unpaired probability file output
+ std::istream * accStream = NULL;
+ std::ifstream * accFileStream = NULL;
+ // select stream to read from
+ if ( boost::iequals(tAccFile,"STDIN") ) {
+ accStream = &(std::cin);
+ } else {
+ // file support
+ accFileStream = new std::ifstream(tAccFile);
+ try {
+ if(!accFileStream->good()){
+ accFileStream->close();
+ CLEANUP(accFileStream);
+ throw std::runtime_error("accessibility parsing of --tAccFile : could not open file '"+tAccFile+"'");
+ }
+ } catch (std::exception & ex) {
+ accFileStream->close();
+ CLEANUP(accFileStream);
+ throw std::runtime_error("accessibility parsing of --tAccFile : error while opening '"+tAccFile+"' : "+ex.what());
+ }
+ // set file stream as input stream
+ accStream = accFileStream;
+ }
+ // read data
+ Accessibility * acc = new AccessibilityFromStream( seq
+ , tIntLenMax.val
+ , &accConstraint
+ , *accStream
+ , ( tAcc.val == 'P' ? AccessibilityFromStream::Pu_RNAplfold_Text : AccessibilityFromStream::ED_RNAplfold_Text )
+ , vrnaHandler.getRT() );
+ // cleanup
+ if ( accFileStream != NULL ) {
+ accFileStream->close();
+ CLEANUP( accFileStream );
+ }
+ return acc;
+ }
+ case 'C' : // compute accessibilities
+ switch( energy.val ) {
+ // TODO 'B'
+ case 'V' : // VRNA-based accessibilities
+ return new AccessibilityVrna( seq
+ , std::min( tIntLenMax.val == 0 ? seq.size() : tIntLenMax.val
+ , tAccW.val == 0 ? seq.size() : tAccW.val )
+ , &accConstraint
+ , vrnaHandler
+ , tAccW.val
+ );
+ default :
+ NOTIMPLEMENTED("target accessibility computation not implemented for energy = '"+toString(energy.val)+"'. Disable via --tAcc=N.");
+ } break;
+ default :
+ NOTIMPLEMENTED("CommandLineParsing::getTargetAccessibility : tAcc = '"+toString(tAcc.val)+"' is not supported");
+ }
+ return NULL;
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+InteractionEnergy*
+CommandLineParsing::
+getEnergyHandler( const Accessibility& accTarget, const ReverseAccessibility& accQuery ) const
+{
+ checkIfParsed();
+
+ // check whether to compute ES values (for multi-site predictions
+ const bool initES = std::string("M").find(pred.val) != std::string::npos;
+
+ switch( energy.val ) {
+ case 'B' : return new InteractionEnergyBasePair( accTarget, accQuery, tIntLoopMax.val, qIntLoopMax.val, initES );
+ case 'V' : return new InteractionEnergyVrna( accTarget, accQuery, vrnaHandler, tIntLoopMax.val, qIntLoopMax.val, initES );
+ default :
+ NOTIMPLEMENTED("CommandLineParsing::getEnergyHandler : energy = '"+toString(energy.val)+"' is not supported");
+ }
+ return NULL;
+
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+OutputConstraint
+CommandLineParsing::
+getOutputConstraint() const
+{
+ checkIfParsed();
+ OutputConstraint::ReportOverlap overlap = OutputConstraint::ReportOverlap::OVERLAP_BOTH;
+ switch(outOverlap.val) {
+ case 'N' : overlap = OutputConstraint::ReportOverlap::OVERLAP_NONE; break;
+ case 'T' : overlap = OutputConstraint::ReportOverlap::OVERLAP_SEQ1; break;
+ case 'Q' : overlap = OutputConstraint::ReportOverlap::OVERLAP_SEQ2; break;
+ case 'B' : overlap = OutputConstraint::ReportOverlap::OVERLAP_BOTH; break;
+ default : throw std::runtime_error("CommandLineParsing::getOutputConstraint() : unsupported outOverlap value "+toString(outOverlap.val));
+ }
+ return OutputConstraint(
+ outNumber.val
+ , overlap
+ , static_cast(outMaxE.val)
+ , static_cast(outDeltaE.val)
+ );
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+void
+CommandLineParsing::
+parseSequences(const std::string & paramName,
+ const std::string& paramArg,
+ RnaSequenceVec& sequences )
+{
+ // clear sequence container
+ sequences.clear();
+
+ // read FASTA from STDIN stream
+ if (boost::iequals(paramArg,"STDIN")) {
+ parseSequencesFasta(paramName, std::cin, sequences);
+ } else
+ if (RnaSequence::isValidSequenceIUPAC(paramArg)) {
+ // direct sequence input
+ sequences.push_back(RnaSequence(paramName,paramArg));
+ } else
+ {
+ // open file handle
+ std::ifstream infile(paramArg);
+ try {
+ if(!infile.good()){
+ LOG(ERROR) <<"FASTA parsing of "<' ){ // Identifier marker
+ if( !name.empty() ){ // we had read a name before
+ // store last sequence
+ // check if data complete
+ if (sequence.empty()) {
+ LOG(ERROR) <<"FASTA parsing of "<' plus successive and trailing whitespaces
+ trimStart = line.find_first_not_of(" \t",1);
+ line = line.substr( trimStart, std::max(0,(int)line.find_last_not_of(" \t\n\r")+1-trimStart) );
+ name = line;
+ }
+ // clear sequence data
+ sequence.clear();
+ } else
+ // has to be a sequence
+ if( !name.empty() ){
+ // trim leading/trailing whitespaces
+ trimStart = line.find_first_not_of(" \t");
+ line = line.substr( trimStart, std::max(0,(int)line.find_last_not_of(" \t\n\r")+1-trimStart) );
+ // check for enclosed whitespaces
+ if( line.find(' ') != std::string::npos ){ // Invalid sequence--no spaces allowed
+ LOG(ERROR) <<"FASTA parsing of "< max) {
+ LOG(ERROR) <<""<0 ? std::min(Accessibility::ED_UPPER_BOUND, - energy.getRT() * std::log( seedMinPu.val )) : Accessibility::ED_UPPER_BOUND) // transform unpaired prob to ED value
+ // shift ranges to start counting with 0
+ , IndexRangeList( seedTRange ).shift(-1,energy.size1()-1)
+ , IndexRangeList( seedQRange ).shift(-1,energy.size2()-1).reverse(energy.size2())
+ );
+ }
+ return *seedConstraint;
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+const IndexRangeList&
+CommandLineParsing::
+getQueryRanges( const size_t sequenceNumber ) const
+{
+#if IN_DEBUG_MODE
+ if (sequenceNumber>=qRegion.size())
+ throw std::runtime_error("CommandLineParsing::getQueryRanges("+toString(sequenceNumber)+") out of bounds");
+ if (qRegion.at(sequenceNumber).empty())
+ throw std::runtime_error("CommandLineParsing::getQueryRanges("+toString(sequenceNumber)+") is empty");
+#endif
+ return qRegion.at(sequenceNumber);
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+const IndexRangeList&
+CommandLineParsing::
+getTargetRanges( const size_t sequenceNumber ) const
+{
+#if IN_DEBUG_MODE
+ if (sequenceNumber>=tRegion.size())
+ throw std::runtime_error("CommandLineParsing::getTargetRanges("+toString(sequenceNumber)+") out of bounds");
+ if (tRegion.at(sequenceNumber).empty())
+ throw std::runtime_error("CommandLineParsing::getTargetRanges("+toString(sequenceNumber)+") is empty");
+#endif
+ return tRegion.at(sequenceNumber);
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+void
+CommandLineParsing::
+writeAccessibility( const Accessibility& acc, const std::string fileOrStream, const bool writeED ) const
+{
+ if (fileOrStream.empty())
+ return;
+
+ // setup output stream
+ std::ostream * out = NULL;
+ std::fstream * outFile = NULL;
+ if ( boost::iequals(fileOrStream,"STDOUT")) {
+ out = &std::cout;
+ } else
+ if ( boost::iequals(fileOrStream,"STDERR")) {
+ out = &std::cerr;
+ } else {
+ // open file
+ outFile = new std::fstream();
+ outFile->open( fileOrStream.c_str(), std::ios_base::out );
+ if (!outFile->is_open()) {
+ CLEANUP(outFile);
+ throw std::runtime_error("could not open output file '"+fileOrStream +"' for "+(writeED?"accessibility":"unpaired probability")+" output");
+ } else {
+ out = outFile;
+ }
+ }
+
+ // write data to stream
+ if (writeED) {
+ acc.writeRNAplfold_ED_text( *out );
+ } else {
+ acc.writeRNAplfold_Pu_text( *out, vrnaHandler.getRT() );
+ }
+
+ // clean up
+ if (outFile != NULL) { outFile->close(); }
+ CLEANUP(outFile);
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+
+
diff --git a/src/CommandLineParsing.h b/src/CommandLineParsing.h
new file mode 100644
index 00000000..3849aa17
--- /dev/null
+++ b/src/CommandLineParsing.h
@@ -0,0 +1,1379 @@
+
+#ifndef COMMANDLINEPARSING_H_
+#define COMMANDLINEPARSING_H_
+
+#include "general.h"
+#include "RnaSequence.h"
+
+#include
+#include
+#include
+
+#include
+#include
+
+#include "Accessibility.h"
+#include "InteractionEnergy.h"
+#include "OutputHandler.h"
+#include "Predictor.h"
+#include "SeedConstraint.h"
+#include "VrnaHandler.h"
+
+/**
+ * Central handler for all command line arguments etc.
+ *
+ */
+class CommandLineParsing {
+public:
+
+ //! type for a list of sequences
+ typedef std::vector< RnaSequence > RnaSequenceVec;
+ //! type for a list of ranges for the sequences
+ typedef std::vector IndexRangeListVec;
+
+ //! different exit codes for parsing
+ enum ReturnCode {
+ KEEP_GOING = -1,
+ STOP_ALL_FINE = 0,
+ STOP_PARSING_ERROR = 1,
+ NOT_PARSED_YET = 999
+ };
+
+
+public:
+
+ /**
+ * Constructs a commandline argument parser for IntaRNA.
+ *
+ * @param logStream the stream to write validation log messages to
+ */
+ CommandLineParsing();
+ virtual ~CommandLineParsing();
+
+ /**
+ * Parses the commandline arguments as passed to the 'main' method
+ * @param argc the number of arguments
+ * @param argv the argument array
+ *
+ * @return the parsing code: KEEP_GOING if all went fine, otherwise the exit code to return
+ *
+ */
+ ReturnCode
+ parse( int argc, char ** argv );
+
+public:
+
+ ///////// GETTERS ///////////////////////////////////////////////////
+
+ /**
+ * Parses the query parameter and returns all parsed sequences.
+ * @return the set of parsed query sequences
+ */
+ const RnaSequenceVec& getQuerySequences() const;
+
+ /**
+ * Parses the target parameter and returns all parsed sequences.
+ * @return the set of parsed target sequences
+ */
+ const RnaSequenceVec& getTargetSequences() const;
+
+ /**
+ * Returns a newly allocated Accessibility object for the given query
+ * sequence according to the user defined parameters.
+ * @param sequenceNumber the number of the sequence within the vector
+ * returned by getQuerySequences()
+ * @return a newly allocated Accessibility object or NULL in error case
+ */
+ Accessibility* getQueryAccessibility( const size_t sequenceNumber ) const;
+
+ /**
+ * Returns a newly allocated Accessibility object for the given target
+ * sequence according to the user defined parameters.
+ * @param sequenceNumber the number of the sequence within the vector
+ * returned by getTargetSequences()
+ * @return a newly allocated Accessibility object or NULL in error case
+ */
+ Accessibility* getTargetAccessibility( const size_t sequenceNumber ) const;
+
+ /**
+ * Access to the ranges to screen for interactions for the query with the
+ * according sequence number.
+ * @param sequenceNumber the number of the sequence within the vector
+ * returned by getQuerySequences()
+ * @return the range list for the according sequence.
+ */
+ const IndexRangeList& getQueryRanges( const size_t sequenceNumber ) const;
+
+ /**
+ * Access to the ranges to screen for interactions for the target with the
+ * according sequence number.
+ * @param sequenceNumber the number of the sequence within the vector
+ * returned by getTargetSequences()
+ * @return the range list for the according sequence.
+ */
+ const IndexRangeList& getTargetRanges( const size_t sequenceNumber ) const;
+
+ /**
+ * Returns a newly allocated Energy object according to the user defined
+ * parameters.
+ * @param accTarget the accessibility object of the target sequence
+ * @param accQuery the (reversed) accessibility object of the query sequence
+ * @return the newly allocated Energy object to be deleted by the calling
+ * function or NULL in error case
+ */
+ InteractionEnergy* getEnergyHandler( const Accessibility& accTarget, const ReverseAccessibility& accQuery ) const;
+
+ /**
+ * Provides a newly allocated output handler according to the user request.
+ *
+ * @param energy the energy handler used for interaction computation
+ *
+ * @return the newly allocated OutputHandler object to be deleted by the
+ * calling function
+ */
+ OutputHandler* getOutputHandler(const InteractionEnergy & energy) const;
+
+ /**
+ * Provides a newly allocated predictor according to the user defined
+ * parameters
+ * @param energy the interaction energy handler to be used
+ * @param output the output handler to be used
+ * @return the newly allocated Predictor object to be deleted by the calling
+ * function
+ */
+ Predictor* getPredictor( const InteractionEnergy & energy
+ , OutputHandler & output ) const;
+
+
+ /**
+ * Provides the seed constraint according to the user settings
+ * @param energy the interaction energy handler to be used
+ * @return the user defined seed constraints
+ */
+ const SeedConstraint & getSeedConstraint( const InteractionEnergy & energy ) const;
+
+ /**
+ * Access to the set folding temperature in Celsius.
+ * @return the chosen temperature in Celsius
+ */
+ T_type getTemperature() const;
+
+ /**
+ * The constraints to be applied to the interaction output generation
+ * @return the output constraints to be applied
+ */
+ OutputConstraint getOutputConstraint() const;
+
+ /**
+ * The stream to write the interaction output to
+ * @return the output stream to write interaction output to
+ */
+ std::ostream & getOutputStream() const;
+
+ /**
+ * Writes the query accessibility to file/stream if requested
+ */
+ void
+ writeQueryAccessibility( const Accessibility & acc ) const;
+
+ /**
+ * Writes the query accessibility to file/stream if requested
+ */
+ void
+ writeTargetAccessibility( const Accessibility & acc ) const;
+
+#if INTARNA_MULITHREADING
+ /**
+ * Number of threads to be used for parallel processing of
+ * query-target-combinations.
+ * @return number of threads to be used (>0)
+ */
+ size_t
+ getThreads() const;
+#endif
+
+protected:
+
+ ///////// PRIVATE STUFF ////////////////////////////////////////////////
+
+ /**
+ * Limits and values for a number parameter
+ */
+ template
+ class NumberParameter {
+ public:
+ //! the value of the parameter
+ T val;
+ //! the minimally allowed value
+ const T min;
+ //! the maximally allowed value
+ const T max;
+ //! the default value
+ const T def;
+ /**
+ * construction feeding the members
+ * @param min the minimally allowed value
+ * @param max the maximally allowed value
+ * @param def the default value
+ */
+ NumberParameter( const T min, const T max, const T def )
+ : val(def), min(min), max(max), def(def)
+ {}
+ //! checks if the given value is in the allowed range [min,max]
+ //! @param value the value to check
+ //! @return true if in range; false otherwise
+ bool isInRange(const T& value) const {
+ return value >= min && value <= max;
+ }
+ //! checks whether or not val is in the allowed range [min,max]
+ //! @return true if in range; false otherwise
+ bool isInRange() const {
+ return isInRange(val);
+ }
+ };
+
+ /**
+ * Allowed alphabet for a single char parameter
+ */
+ class CharParameter {
+ public:
+ //! the value of the parameter
+ char val;
+ //! the set of allowed values for this parameter as a string
+ const std::string alphabet;
+ //! the default value of the parameter
+ const char def;
+ /**
+ * Construction and member setup
+ * @param alphabet the allowed set of character values
+ * @param def the default value (has to be part of the alphabet)
+ */
+ CharParameter( const std::string& alphabet, const char def )
+ : val(def), alphabet(alphabet), def(def)
+ {
+ if (alphabet.find(def) == std::string::npos) {
+ throw std::runtime_error("CharParameter() : default value '"+toString(def)+"' is not within alphabet '"+alphabet+"'");
+ }
+ }
+ //! checks if the given value is in the allowed alphabet
+ //! @param value the value to check
+ //! @return true if in alphabet; false otherwise
+ bool isInAlphabet(const char value) const {
+ return alphabet.find(value) != std::string::npos;
+ }
+ //! checks whether or not val is in the allowed alphabet
+ //! @return true if in alphabet; false otherwise
+ bool isInAlphabet() const {
+ return isInAlphabet(val);
+ }
+
+ };
+
+ //! whether or not STDIN was already requested by one of the following
+ //! arguments
+ bool stdinUsed;
+
+ //! query specific options
+ boost::program_options::options_description opts_query;
+ //! target specific options
+ boost::program_options::options_description opts_target;
+ //! seed specific options
+ boost::program_options::options_description opts_seed;
+ //! interaction/energy specific options
+ boost::program_options::options_description opts_inter;
+ //! general options
+ boost::program_options::options_description opts_general;
+ //! output options
+ boost::program_options::options_description opts_output;
+
+ //! overall option list
+ boost::program_options::options_description opts_cmdline_all;
+
+ //! short option list
+ boost::program_options::options_description opts_cmdline_short;
+
+ //! central result code to be set by validate_* functions in error case
+ ReturnCode parsingCode;
+
+ //! the query command line argument
+ std::string queryArg;
+ //! the container holding all query sequences
+ RnaSequenceVec query;
+ //! accessibility computation mode for query sequences
+ CharParameter qAcc;
+ //! window length for query accessibility computation (plFold)
+ NumberParameter qAccW;
+ //! maximal base pair span for query accessibility computation (plFold)
+ NumberParameter qAccL;
+ //! constraint for accessibility computation for query sequences
+ std::string qAccConstr;
+ //! the file/stream to read the query's accessibility data from
+ std::string qAccFile;
+ //! window length to be considered accessible/interacting within query
+ NumberParameter qIntLenMax;
+ //! maximal internal loop length to be considered accessible/interacting within query
+ NumberParameter qIntLoopMax;
+ //! the string encoding of the interaction intervals for the query(s)
+ std::string qRegionString;
+ //! the list of interaction intervals for each query sequence
+ IndexRangeListVec qRegion;
+
+ //! the target command line argument
+ std::string targetArg;
+ //! the container holding all target sequences
+ RnaSequenceVec target;
+ //! accessibility computation mode for target sequences
+ CharParameter tAcc;
+ //! window length for target accessibility computation (plFold)
+ NumberParameter tAccW;
+ //! maximal base pair span for target accessibility computation (plFold)
+ NumberParameter tAccL;
+ //! constraint for accessibility computation for target sequences
+ std::string tAccConstr;
+ //! the file/stream to read the query's accessibility data from
+ std::string tAccFile;
+ //! window length to be considered accessible/interacting within target
+ NumberParameter tIntLenMax;
+ //! maximal internal loop length to be considered accessible/interacting within target
+ NumberParameter tIntLoopMax;
+ //! the string encoding of the interaction intervals for the target(s)
+ std::string tRegionString;
+ //! the list of interaction intervals for each target sequence
+ IndexRangeListVec tRegion;
+
+ //! whether or not a seed is to be required for an interaction or not
+ bool noSeedRequired;
+ //! number of base pairs in seed
+ NumberParameter seedBP;
+ //! max overall unpaired in seed
+ NumberParameter seedMaxUP;
+ //! max unpaired in query's seed
+ NumberParameter seedQMaxUP;
+ //! max unpaired in target's seed
+ NumberParameter seedTMaxUP;
+ //! max energy of a seed to be considered
+ NumberParameter seedMaxE;
+ //! minimal unpaired probability (per sequence) of a seed to be considered
+ NumberParameter seedMinPu;
+ //! intervals in query for seed search
+ std::string seedQRange;
+ //! intervals in target for seed search
+ std::string seedTRange;
+ //! the final seed constraint to be used
+ mutable SeedConstraint * seedConstraint;
+
+ //! the temperature to be used for energy computations
+ NumberParameter temperature;
+
+ //! the prediction target (mfe-single-site, max-prob-site, ..)
+ CharParameter pred;
+ //! the prediction mode (heuristic, space-efficient, exact)
+ CharParameter predMode;
+#if INTARNA_MULITHREADING
+ //! number of threads = number of parallel predictors running
+ NumberParameter threads;
+#endif
+
+ //! the selected energy model
+ CharParameter energy;
+ //! the provided energy parameter file of the VRNA package
+ std::string energyFile;
+
+ //! where to write the output to
+ std::string out;
+ //! output stream
+ std::ostream * outStream;
+ //! output mode
+ CharParameter outMode;
+ //! number of (sub)optimal interactions to report
+ NumberParameter outNumber;
+ //! whether or not reported interactions can to be overlapping
+ CharParameter outOverlap;
+ //! deltaE to mfe allowed to report an interaction
+ NumberParameter outDeltaE;
+ //! max E allowed to report an interaction
+ NumberParameter outMaxE;
+ //! the CSV column selection
+ std::string outCsvCols;
+ //! the CSV column selection
+ static const std::string outCsvCols_default;
+ //! the stream/file to write the query's ED values to
+ std::string outQAccFile;
+ //! the stream/file to write the target's ED values to
+ std::string outTAccFile;
+ //! the stream/file to write the query's unpaired probabilities to
+ std::string outQPuFile;
+ //! the stream/file to write the target's unpaired probabilities to
+ std::string outTPuFile;
+
+ //! the vienna energy parameter handler initialized by #parse()
+ mutable VrnaHandler vrnaHandler;
+
+protected:
+
+ /**
+ * sets the stdinUsed member to true if so far false or raises an exception
+ * if it is already true.
+ * @return true if stdinUsed was false so far; false otherwise (error logged)
+ */
+ bool setStdinUsed();
+
+ //////////// INDIVIDUAL TESTS //////////////////
+
+ /**
+ * Validates the query sequence argument.
+ * @param value the argument value to validate
+ */
+ void validate_query(const std::string & value);
+
+ /**
+ * Validates the query accessibility argument.
+ * @param value the argument value to validate
+ */
+ void validate_qAcc(const char & value);
+
+ /**
+ * Validates the query accessibility sliding window size argument.
+ * @param value the argument value to validate
+ */
+ void validate_qAccW(const int & value);
+
+ /**
+ * Validates the query accessibility maximal loop length argument.
+ * @param value the argument value to validate
+ */
+ void validate_qAccL(const int & value);
+
+ /**
+ * Validates the query accessibility constraint argument.
+ * @param value the argument value to validate
+ */
+ void validate_qAccConstr(const std::string & value);
+
+ /**
+ * Validates the qAccFile argument.
+ * @param value the argument value to validate
+ */
+ void validate_qAccFile(const std::string & value);
+
+ /**
+ * Validates the query's maximal accessibility argument.
+ * @param value the argument value to validate
+ */
+ void validate_qIntLenMax(const int & value);
+
+ /**
+ * Validates the query's maximal internal loop length argument.
+ * @param value the argument value to validate
+ */
+ void validate_qIntLoopMax(const int & value);
+
+ /**
+ * Validates the query's region argument.
+ * @param value the argument value to validate
+ */
+ void validate_qRegion(const std::string & value);
+
+ /**
+ * Validates the target sequence argument.
+ * @param value the argument value to validate
+ */
+ void validate_target(const std::string & value);
+
+ /**
+ * Validates the target accessibility argument.
+ * @param value the argument value to validate
+ */
+ void validate_tAcc(const char & value);
+
+ /**
+ * Validates the target accessibility sliding window size argument.
+ * @param value the argument value to validate
+ */
+ void validate_tAccW(const int & value);
+
+ /**
+ * Validates the target accessibility maximal loop length argument.
+ * @param value the argument value to validate
+ */
+ void validate_tAccL(const int & value);
+
+ /**
+ * Validates the target accessibility constraint argument.
+ * @param value the argument value to validate
+ */
+ void validate_tAccConstr(const std::string & value);
+
+ /**
+ * Validates the tAccFile argument.
+ * @param value the argument value to validate
+ */
+ void validate_tAccFile(const std::string & value);
+
+ /**
+ * Validates the target's maximal accessibility argument.
+ * @param value the argument value to validate
+ */
+ void validate_tIntLenMax(const int & value);
+
+ /**
+ * Validates the target's maximal internal loop length argument.
+ * @param value the argument value to validate
+ */
+ void validate_tIntLoopMax(const int & value);
+
+ /**
+ * Validates the target's region argument.
+ * @param value the argument value to validate
+ */
+ void validate_tRegion(const std::string & value);
+
+ /**
+ * Validates the seedBP argument.
+ * @param value the argument value to validate
+ */
+ void validate_seedBP(const int & value);
+
+ /**
+ * Validates the seedMaxUP argument.
+ * @param value the argument value to validate
+ */
+ void validate_seedMaxUP(const int & value);
+
+ /**
+ * Validates the seedQMaxUP argument.
+ * @param value the argument value to validate
+ */
+ void validate_seedQMaxUP(const int & value);
+
+ /**
+ * Validates the seedTMaxUP argument.
+ * @param value the argument value to validate
+ */
+ void validate_seedTMaxUP(const int & value);
+
+ /**
+ * Validates the seedMaxE argument.
+ * @param value the argument value to validate
+ */
+ void validate_seedMaxE(const E_type & value);
+
+ /**
+ * Validates the seedMinPu argument.
+ * @param value the argument value to validate
+ */
+ void validate_seedMinPu(const E_type & value);
+
+ /**
+ * Validates the seedQRange argument.
+ * @param value the argument value to validate
+ */
+ void validate_seedQRange(const std::string & value);
+
+ /**
+ * Validates the seedTRange argument.
+ * @param value the argument value to validate
+ */
+ void validate_seedTRange(const std::string & value);
+
+ /**
+ * Validates the temperature argument.
+ * @param value the argument value to validate
+ */
+ void validate_temperature(const T_type & value);
+
+ /**
+ * Validates the prediction target argument.
+ * @param value the argument value to validate
+ */
+ void validate_pred(const char & value);
+
+ /**
+ * Validates the prediction mode argument.
+ * @param value the argument value to validate
+ */
+ void validate_predMode(const char & value);
+
+ /**
+ * Validates the temperature argument.
+ * @param value the argument value to validate
+ */
+ void validate_energy(const char & value);
+
+ /**
+ * Validates the energy parameter file argument.
+ * @param value the argument value to validate
+ */
+ void validate_energyFile(const std::string & value);
+
+ /**
+ * Validates the out argument.
+ * @param value the argument value to validate
+ */
+ void validate_out(const std::string & value);
+
+ /**
+ * Validates the outMode argument.
+ * @param value the argument value to validate
+ */
+ void validate_outMode(const char & value);
+
+ /**
+ * Validates the outNumber argument.
+ * @param value the argument value to validate
+ */
+ void validate_outNumber(const int & value);
+
+ /**
+ * Validates the outOverlap argument.
+ * @param value the argument value to validate
+ */
+ void validate_outOverlap(const char & value);
+
+ /**
+ * Validates the outDeltaE argument.
+ * @param value the argument value to validate
+ */
+ void validate_outDeltaE(const double & value);
+
+ /**
+ * Validates the outMaxE argument.
+ * @param value the argument value to validate
+ */
+ void validate_outMaxE(const double & value);
+
+ /**
+ * Validates the outCsvCols argument.
+ * @param value the argument value to validate
+ */
+ void validate_outCsvCols(const std::string & value);
+
+ /**
+ * Validates the outQAccFile argument.
+ * @param value the argument value to validate
+ */
+ void validate_outQAccFile( const std::string & value);
+
+ /**
+ * Validates the outTAccFile argument.
+ * @param value the argument value to validate
+ */
+ void validate_outTAccFile( const std::string & value);
+
+ /**
+ * Validates the outQPuFile argument.
+ * @param value the argument value to validate
+ */
+ void validate_outQPuFile( const std::string & value);
+
+ /**
+ * Validates the outTPuFile argument.
+ * @param value the argument value to validate
+ */
+ void validate_outTPuFile( const std::string & value);
+
+#if INTARNA_MULITHREADING
+ /**
+ * Validates the threads argument.
+ * @param value the argument value to validate
+ */
+ void validate_threads( const int & value);
+#endif
+
+ //////////// GENERIC TESTS /////////////////
+
+ /**
+ * Validates a CharParameter.
+ * @param argName the name of the parameter (for exception handling)
+ * @param param the parameter object
+ * @param value the value of the parameter to validate
+ */
+ void validate_charArgument(const std::string & argName, const CharParameter& param, const char & value);
+
+
+ /**
+ * Validates a NumberParameter.
+ * @param argName the name of the parameter (for exception handling)
+ * @param param the parameter object
+ * @param value the value of the parameter to validate
+ */
+ template
+ void validate_numberArgument(const std::string & name, const NumberParameter & param, const T& value)
+ {
+ // alphabet check
+ if ( ! param.isInRange(value) ) {
+ LOG(ERROR) < 0 && qAccW.val < 3) {
+ LOG(ERROR) <<"\n qAccW = " < 3";
+ updateParsingCode(ReturnCode::STOP_PARSING_ERROR);
+ }
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+inline
+void CommandLineParsing::validate_qAccL(const int & value)
+{
+ // forward check to general method
+ validate_numberArgument("qAccL", qAccL, value);
+ // check lower bound
+ if (qAccL.val > 0 && qAccL.val < 3) {
+ LOG(ERROR) <<"qAccL = " < 3";
+ updateParsingCode(ReturnCode::STOP_PARSING_ERROR);
+ }
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+inline
+void CommandLineParsing::validate_qAccConstr(const std::string & value)
+{
+ // forward check to general method
+ validate_structureConstraintArgument("qAccConstr", value);
+ // check if no sliding window computation requested
+ if (qAccW.val > 0 || qAccL.val > 0) {
+ LOG(ERROR) <<"query accessibility constraint not possible for sliding window computation (qAccL/W > 0)";
+ updateParsingCode(ReturnCode::STOP_PARSING_ERROR);
+ }
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+inline
+void CommandLineParsing::validate_qAccFile(const std::string & value)
+{
+ // if not empty
+ if (!value.empty()) {
+ // if not STDIN
+ if ( boost::iequals(value,"STDIN") ) {
+ setStdinUsed();
+ } else {
+ // should be file
+ if ( ! validateFile( value ) ) {
+ LOG(ERROR) <<"query accessibility file '"< 0 && tAccW.val < 3) {
+ LOG(ERROR) <<"tAccW = " < 3";
+ updateParsingCode(ReturnCode::STOP_PARSING_ERROR);
+ }
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+inline
+void CommandLineParsing::validate_tAccL(const int & value)
+{
+ // forward check to general method
+ validate_numberArgument("tAccL", tAccL, value);
+ // check lower bound
+ if (tAccL.val > 0 && tAccL.val < 3) {
+ LOG(ERROR) <<"tAccL = " < 3";
+ updateParsingCode(ReturnCode::STOP_PARSING_ERROR);
+ }
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+inline
+void CommandLineParsing::validate_tAccConstr(const std::string & value)
+{
+ // forward check to general method
+ validate_structureConstraintArgument("tAccConstr", value);
+ // check if no sliding window computation requested
+ if (tAccW.val > 0 || tAccL.val > 0) {
+ LOG(ERROR) <<"query accessibility constraint not possible for sliding window computation (tAccL/W > 0)";
+ updateParsingCode(ReturnCode::STOP_PARSING_ERROR);
+ }
+}
+
+////////////////////////////////////////////////////////////////////////////
+
+inline
+void CommandLineParsing::validate_tAccFile(const std::string & value)
+{
+ // if not empty
+ if (!value.empty()) {
+ // if not STDIN
+ if ( boost::iequals(value,"STDIN") ) {
+ setStdinUsed();
+ } else {
+ // should be file
+ if ( ! validateFile( value ) ) {
+ LOG(ERROR) <<"target accessibility file '"<
+
+#include
+
+/**
+ * Defines an index region with functionality similar to pair
+ *
+ * @author Martin Mann
+ */
+class IndexRange {
+
+public:
+
+ //! the start of the index range
+ size_t from;
+
+ //! the end of the index range
+ size_t to;
+
+ //! regular expression that matches valid IndexRange string encodings
+ static const boost::regex regex;
+
+public:
+
+ /**
+ * Creates a range
+ * @param from the start index (default 0)
+ * @param to the end index (default max())
+ */
+ IndexRange(const size_t from = 0,
+ const size_t to = RnaSequence::lastPos)
+ : from(from), to(to)
+ {
+ }
+
+ /**
+ * Creates a range from a string encoding
+ * @param stringEncoding string encoding of the range as produced by the
+ * ostream operator
+ */
+ IndexRange(const std::string & stringEncoding)
+ : from(0), to(RnaSequence::lastPos)
+ {
+ fromString(stringEncoding);
+ }
+
+ /**
+ * destruction
+ */
+ virtual ~IndexRange() {}
+
+ /**
+ * Checks whether or not the range encoding is ascending.
+ * @return from <= to
+ */
+ bool isAscending() const
+ {
+ return from <= to;
+ }
+
+ /**
+ * Checks whether or not the range encoding is descending.
+ * @return from >= to
+ */
+ bool isDescending() const
+ {
+ return from >= to;
+ }
+
+ /**
+ * Checks whether or not the start of this range preceeds the given range.
+ * @param r the range to compare to
+ * @return (fromoperator ==(r) );
+ }
+
+
+ /**
+ * Prints the range's boundaries to stream
+ * @param out the ostream to write to
+ * @param range the IndexRange object to add
+ * @return the altered stream out
+ */
+ friend std::ostream& operator<<(std::ostream& out, const IndexRange& range)
+ {
+ // has to be in accordance to this.regex
+ return (out <(stringEncoding.substr(0,splitPos));
+ to = boost::lexical_cast