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BUGFIX: Typos in GH workflow #54

Merged
merged 41 commits into from
Feb 20, 2024
Merged

BUGFIX: Typos in GH workflow #54

merged 41 commits into from
Feb 20, 2024

Commits on Sep 11, 2022

  1. Adjustment of flake8 settings

    Changes in the behavior of flake8 caused the test to fail. Adding W503 to the ignored errors fixes this. W503 is currently the recommended way according to PEP8.
    JanNiklasWeder committed Sep 11, 2022
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Commits on Apr 22, 2023

  1. UPDATE: Repository use Ruff as new linter instead of flake8. Temporal

    removal of mypy pre-commit hook
    UPDATE: Project updated to use pyproject.toml. Setup.py and mypy.ini
    removed.
    NEW: Installation dependency of escher is now optional. Users can
    install dependency to use Escher. This chance is can be seen in module
    pathway from subpackage pathway.
    cambordas committed Apr 22, 2023
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  2. First test of test_creation passing from refactor

    UPDATE: subpackate parsing imports are not specific anymore.
    UPDATE: module kegg.py, bigg.py and biocyc.py include new functions
    parse_reaction_attributes and parse_metabolites_attributes. These
    function extract the main information for the data. Biocyc includes new
    function such reaction_str_from_xml, get_direction_from_xml. Kegg
    includes data_from_string.
    NEW: New module retrieval.py. This module is in charge of downloading
    data from the multiple databases and writing them into disk.
    Additionally, the parsing of the data to reactions and metabolites is
    also done by this module.
    UDPATE: cobramod.utils include new functions such convert_to_transport
    and is_compound
    cambordas committed Apr 22, 2023
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Commits on Apr 24, 2023

  1. Main refactor of creation almost completed

    UPDATE: removal of shebang for multiple modules that are not supposed to
    be run as scripts
    UPDATE: In bigg.py and kegg.py, few functions renamed
    (retrieve_kegg_genes, parse_genes)
    UPDATE: in core.creation.py, some functions renamed
    (metabolite_from_string, metabolite_from_data,
    convert_string_metabolite, string_to_reaction). Old functions commented.
    Main function from the module refactor to use new data type. Argumnets
    for multiple function updated to be optional. Only main function use
    kwargs. Main function refactor to be more concise and use new functions.
    FIX: in crossreferences.py, issue were the path that is a string, was
    not absolute.
    UPDATE: in genes.py, rename of function genes_to_reaction
    UPDATE: test_creation.py updated to use new functions. Some blocks were
    commented until new function in other modules are updated
    cambordas committed Apr 24, 2023
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Commits on May 2, 2023

  1. FIX: function create_object now passes to get_reaction the correct model

    UPDATED: in extension.py, multiple reactions renamed e.g
    yield_reaction_from_list, find_problem, recursive_flux_test,
    non_zero_core, add_reactions_to_Pathway, remove_avoid_reactions,
    add_pathway_from_file, add_pathway_from_data, add_pathway_from_strings.
    Main core function add_function internally modified to use refactored
    reactions. add_pathway_from_data uses new data structure in
    retrieval.py. For multiple functions, arguments were updated to include
    optional arguments.
    UPDATED: in graph.py, function renamed to get_graph_dict,
    build_lineal_graph. Removal of old deprecated code
    REMOVED: module retrieval.py
    UPDATED: in parsing, kegg.py, bigg.py and biocyc.py have deprecated code
    removed.
    NEW: in retrieval.py, data can parse pathway information. Additionally,
    subdatabase from Biocyc can be used
    FIX: in utils.py, arrows for equations had the wrong bounds. New
    functions inform_new_sinks, reaction_is_minimize, confirm_sink
    FIX: in mapping.py, function uses correct name
    cambordas committed May 2, 2023
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Commits on May 3, 2023

  1. __init__.py includes custom imports

    UPDATED: in retrieval.py. Requesting files from biocyc needs
    credentials. Credentials come from function in utils.py. Additionally,
    Data needs new argument "model_id"
    UPDATED: in crossreferences.py deprecated pandas function replaced
    UPDATED: in extension.py, function add_pathway_from_data now uses tuples
    instead of list. Tuples are used for the visualization of pathways
    UPDATED: in graph.py, function find_cycle refactor to make it simpler.
    Additionally, multiple funcitions had their types added.
    UPDATED: in pathway.py, reaction_strings does not need a cobra.Model
    UPDATED: in summary.py, function summmary uses filename as Optional
    argument
    BUGFIX: in bigg.py, when retrieving files, metabolites will come from
    "universal".
    UPDATED: multiple test updated to use new refactored functions
    cambordas committed May 3, 2023
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Commits on Jun 7, 2023

  1. UPDATED: gene parsing

    UPDATED: in creation.py, parsing of genes modified to be taken care of
    by parsing subpackage. This change applies to bigg, biocyc, kegg. For
    plantcyc and solcyc, this is also true and old code was either commented
    or removed
    UPDATED: data directory structure for solcyc modified
    cambordas committed Jun 7, 2023
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Commits on Jun 27, 2023

  1. NEW: module db_version.py for data versioning

    NEW: in utils, new function kegg_info_to_version moved from kegg.py
    NEW: in retrieval.py, Data class now expects a version. This is needed
    to comply with the previous data versioning. Additionally, when
    querying, a encoded identifier is needed to avoid problems with servers.
    All databases directory are uppercase.
    UPDATE: for plantcyc and solcyc, enconding also happens for gene
    information. Additionally, removing deprecated code. Problem with gene
    directory fixed.
    UPDATE: in kegg.py, old code removed. Function renamed to ko_generator.
    When querying genes, cobramod will try to obtain genes for reactions.
    Sometimes the query can be stopped server-side. To avoid this, we make
    sequentially requests instead of a large one
    FIXED: in biocyc.py, problem with nameless reactions fixed.
    UPDATE: in bigg.py, HTTPError raised from find_url now shows the
    model_id from the query.
    NEW: new module db_version.py. This module is in charge to track and
    compare the data versions for cobramod. It uses a Singleton as
    configurator. Methods come from original module base.py
    REMOVED: methods moved to db_version.py or removed
    cambordas committed Jun 27, 2023
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  2. Test updated to use new data and reflect changes

    FIXED: Missing RNA parsing for Biocyc family databases
    cambordas committed Jun 27, 2023
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Commits on Aug 23, 2023

  1. UPDATE: Message for Super pathways. Not supported

    SuperpathwayWarning is now an Exception
    UPDATE:Enviroment updated to be OS-independent
    NEW: Test for PMN:ARA in test_creation.py
    cambordas committed Aug 23, 2023
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Commits on Oct 25, 2023

  1. NEW: dependency openpyxl

    cambordas committed Oct 25, 2023
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Commits on Nov 6, 2023

  1. NEW: General Docstring updated

    UPDATED: class Database in retrieval
    UPDATED: Refactor of plantcyc, solcyc modules to only gene parsing.
    Modules in parsing got their docstrings updated
    REMOVED: deprecated code in creation.py
    UPDATED: the module test.py, uses pkg_resouces to retrieve models from
    cobra
    cambordas committed Nov 6, 2023
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  4. UPDATE: dev environment

    cambordas committed Nov 6, 2023
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Commits on Dec 30, 2023

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Commits on Jan 15, 2024

  1. Jupyter files updated

    ADDED: Memote-example files added
    UPDATED: jupyter files for all example updated to reflect new changes
    cambordas committed Jan 15, 2024
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  3. Tests update

    UPDATED: Test data 15.01.24
    UPDATED: Test files use new changes. Deprecated code removed.
    Superpatwathway Warning changed to exception. Usage of pkgresources
    for textbook models
    cambordas committed Jan 15, 2024
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  5. UPDATED: Escher maps in guides

    REMOVED: old test.
    ADDED: missing figure
    cambordas committed Jan 15, 2024
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Commits on Jan 16, 2024

  1. Removal deprecated functions in creation.py

    UPDATED: in extension.py, fn yield_reaction_from list will only create
    an object if the object is not already in the model.
    cambordas committed Jan 16, 2024
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Commits on Feb 19, 2024

  1. Replacing black with ruff

    UPDATE: pre commit with ruff fmt and linting
    cambordas committed Feb 19, 2024
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  2. Tox now runs the test suite and not GH

    UPDATE: .yml for test and publish updated with more recents actions
    NEW: changelog
    UPDATE: environment.yml includes all deps for developement
    UPDATE: in pyproject.toml, updating dependencies
    NEW: logging information is more human-friendly and includes colors
    cambordas committed Feb 19, 2024
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  4. Deprecation warning for Solcyc

    UPDATED: Test data updated to 19.02.2024
    REMOVED: Test with Solcyc data
    FIXED: some test for pathways used deprecated statements
    NEW: Alternative optional dependency 'dev'
    UPDATE: in Readme, badge with python versions
    cambordas committed Feb 19, 2024
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  5. Refactor of logging for cobramod and visualization

    UPDATE: debug_log has a new format. This applies to the visualization
    sub-package.
    REMOVE: long text in README.md for the abstract
    UPDATE: dev dependencies in pyproject.py includes docs build
    NEW: fun change_to_debug takes care of changing format for the tests
    UPDATE: all tests included this new function
    cambordas committed Feb 19, 2024
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  6. warning.warn replaced by using logging module

    UPDATED: Most modules uses rather the logging module than the warning
    module to print warnings
    REMOVED: AbbreviationWarning
    UPDATED: readthedocs.yml uses py310
    UPDATED: typo in README
    UPDATED: Test instances modified to show changes
    cambordas committed Feb 19, 2024
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  9. Removing non-interactive statement

    for converter.py
    cambordas committed Feb 19, 2024
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  10. Bump version to 1.2.0

    UPDATED: docs sources
    REMOVED: make.bat
    UPDATED: sphinx-autoapi reverted in environment.yml and pyproject
    UPDATED: changing log lvevel for non-zero flux test and
    genes_to_reaction. Fixing typos in kegg.py and utils.py
    cambordas committed Feb 19, 2024
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Commits on Feb 20, 2024

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  2. Updating text for doc source

    FIXED: missing warning for wrong chemical formula
    cambordas committed Feb 20, 2024
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  4. Missing secret for tests

    cambordas committed Feb 20, 2024
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  5. Typo in path for secrets

    cambordas committed Feb 20, 2024
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  6. BUGFIX: typos in workflows

    cambordas committed Feb 20, 2024
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