diff --git a/.github/workflows/check-api-stability.yaml b/.github/workflows/check-api-stability.yaml
new file mode 100644
index 00000000..72572938
--- /dev/null
+++ b/.github/workflows/check-api-stability.yaml
@@ -0,0 +1,36 @@
+# Workflow derived from
+# https://github.com/r-lib/actions/blob/v2-branch/examples/check-standard.yaml
+
+on:
+ push:
+ branches: [main, master]
+ pull_request:
+ branches: [main, master]
+ schedule:
+ - cron: "0 12 * * 0"
+
+name: Run tests without {vcr}
+
+jobs:
+ test:
+ runs-on: ubuntu-latest
+
+ env:
+ GITHUB_PAT: ${{ secrets.GITHUB_TOKEN }}
+ VCR_TURN_OFF: true
+
+ steps:
+ - uses: actions/checkout@v3
+
+ - uses: r-lib/actions/setup-r@v2
+ with:
+ use-public-rspm: true
+#TODO: don't need to run full check() here. Probably only test() is fine
+ - uses: r-lib/actions/setup-r-dependencies@v2
+ with:
+ extra-packages: any::rcmdcheck
+ needs: check
+
+ - uses: r-lib/actions/check-r-package@v2
+ with:
+ upload-snapshots: true
\ No newline at end of file
diff --git a/tests/fixtures/chebi-article.yml b/tests/fixtures/chebi-article.yml
new file mode 100644
index 00000000..9382dcb6
--- /dev/null
+++ b/tests/fixtures/chebi-article.yml
@@ -0,0 +1,542 @@
+http_interactions:
+- request:
+ method: post
+ uri: http://www.ebi.ac.uk/webservices/chebi/2.0/webservice
+ body:
+ encoding: ''
+ string: |-
+
+
+
+
+ triclosan
+ ALL
+ 200
+ ALL
+
+
+
+ headers:
+ Accept: multipart/*
+ Content-Type: text/xml; charset=utf-8
+ SOAPAction: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ server: Apache-Coyote/1.1
+ content-type: text/xml;charset=utf-8
+ transfer-encoding: chunked
+ date: Thu, 03 Aug 2023 19:33:23 GMT
+ body:
+ encoding: ''
+ file: no
+ string: CHEBI:164200triclosan0.883CHEBI:89302Triclosan
+ glucuronide0.262CHEBI:89301Triclosan
+ sulfate0.132
+ recorded_at: 2023-08-03 19:33:27 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: post
+ uri: http://www.ebi.ac.uk/webservices/chebi/2.0/webservice
+ body:
+ encoding: ''
+ string: |2-
+
+
+
+
+
+ 563-12-2
+ ALL
+ 200
+ ALL
+
+
+
+ headers:
+ Accept: multipart/*
+ Content-Type: text/xml; charset=utf-8
+ SOAPAction: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ server: Apache-Coyote/1.1
+ content-type: text/xml;charset=utf-8
+ transfer-encoding: chunked
+ date: Thu, 03 Aug 2023 19:33:24 GMT
+ body:
+ encoding: ''
+ file: no
+ string: CHEBI:38663ethion0.513
+ recorded_at: 2023-08-03 19:33:27 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: post
+ uri: http://www.ebi.ac.uk/webservices/chebi/2.0/webservice
+ body:
+ encoding: ''
+ string: |2-
+
+
+
+
+
+ 96182-53-5
+ ALL
+ 200
+ ALL
+
+
+
+ headers:
+ Accept: multipart/*
+ Content-Type: text/xml; charset=utf-8
+ SOAPAction: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ server: Apache-Coyote/1.1
+ content-type: text/xml;charset=utf-8
+ transfer-encoding: chunked
+ date: Thu, 03 Aug 2023 19:33:24 GMT
+ body:
+ encoding: ''
+ file: no
+ string: CHEBI:38951tebupirimfos0.553
+ recorded_at: 2023-08-03 19:33:27 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: post
+ uri: http://www.ebi.ac.uk/webservices/chebi/2.0/webservice
+ body:
+ encoding: ''
+ string: |2-
+
+
+
+
+
+ 3383-96-8
+ ALL
+ 200
+ ALL
+
+
+
+ headers:
+ Accept: multipart/*
+ Content-Type: text/xml; charset=utf-8
+ SOAPAction: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ server: Apache-Coyote/1.1
+ content-type: text/xml;charset=utf-8
+ transfer-encoding: chunked
+ date: Thu, 03 Aug 2023 19:33:24 GMT
+ body:
+ encoding: ''
+ file: no
+ string: CHEBI:38954temephos0.533
+ recorded_at: 2023-08-03 19:33:27 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: post
+ uri: http://www.ebi.ac.uk/webservices/chebi/2.0/webservice
+ body:
+ encoding: ''
+ string: |-
+
+
+
+
+ triclosan
+ ALL
+ 200
+ ALL
+
+
+
+ headers:
+ Accept: multipart/*
+ Content-Type: text/xml; charset=utf-8
+ SOAPAction: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ server: Apache-Coyote/1.1
+ content-type: text/xml;charset=utf-8
+ transfer-encoding: chunked
+ date: Thu, 03 Aug 2023 19:33:26 GMT
+ body:
+ encoding: ''
+ file: no
+ string: CHEBI:164200triclosan0.883CHEBI:89302Triclosan
+ glucuronide0.262CHEBI:89301Triclosan
+ sulfate0.132
+ recorded_at: 2023-08-03 19:33:27 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: post
+ uri: http://www.ebi.ac.uk/webservices/chebi/2.0/webservice
+ body:
+ encoding: ''
+ string: |2-
+
+
+
+
+
+ CHEBI:38663
+
+
+
+ headers:
+ Accept: multipart/*
+ Content-Type: text/xml; charset=utf-8
+ SOAPAction: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ server: Apache-Coyote/1.1
+ content-type: text/xml;charset=utf-8
+ transfer-encoding: chunked
+ date: Thu, 03 Aug 2023 19:33:26 GMT
+ body:
+ encoding: ''
+ file: no
+ string: "CHEBI:38663ethionAn
+ organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)]
+ in which all the hydroxy groups have been converted to their corresponding
+ ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory
+ activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7).CHECKEDCCOP(=S)(OCC)SCSP(=S)(OCC)OCCInChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3RIZMRRKBZQXFOY-UHFFFAOYSA-N0384.48010383.987623Bis(S-(diethoxyphosphinothioyl)mercapto)methaneSYNONYMChemIDplusO,O,O',O'-tetraethyl
+ S,S'-methanediyl bis(dithiophosphate)SYNONYMIUPACO,O,O',O'-Tetraethyl
+ S,S'-methylenebis(phosphorodithioate)SYNONYMChemIDplusS,S'-Methylene
+ bis(O,O-diethyl phosphorodithioate)SYNONYMChemIDplusO,O,O',O'-tetraethyl
+ S,S'-methanediyl bis(phosphorodithioate)IUPAC NAMEIUPACC9H22O4P2S4ChemIDplus1804530Beilstein
+ Registry NumberBeilstein1804530Reaxys
+ Registry NumberReaxys563-12-2CAS
+ Registry NumberKEGG COMPOUND563-12-2CAS
+ Registry NumberChemIDplus563-12-2CAS
+ Registry NumberNIST Chemistry WebBook21366965PubMed
+ citationEurope PMC21560835PubMed
+ citationEurope PMC23127602PubMed
+ citationEurope PMC24398360PubMed
+ citationEurope PMC24401442PubMed
+ citationEurope PMC\n
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+ \ 0 0 0\n -2.9764 0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0
+ \ 0 0\n -2.3930 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
+ \ 0\n -2.6065 -1.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n
+ \ 0.3086 0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2748
+ \ -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0613 -1.0771
+ \ 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n
+ \ 2 5 1 0 0 0 0\n 5 12 1 0 0 0 0\n 12 11 1 0 0 0 0\n 11 3
+ \ 1 0 0 0 0\n 3 10 1 0 0 0 0\n 10 13 1 0 0 0 0\n 13 6 1 0
+ \ 0 0 0\n 6 7 1 0 0 0 0\n 7 4 1 0 0 0 0\n 12 14 1 0 0 0
+ \ 0\n 13 17 1 0 0 0 0\n 12 8 2 0 0 0 0\n 13 9 2 0 0 0 0\n
+ 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19
+ \ 1 0 0 0 0\nM END\nmol2Dtrue276PPDB
+ accessionC18725KEGG
+ COMPOUND accessionEthionWikipedia
+ accessioninsecticideCHEBI:24852has
+ roleCHECKEDfalseenvironmental
+ contaminantCHEBI:78298has roleCHECKEDfalseEC
+ 3.1.1.7 (acetylcholinesterase) inhibitorCHEBI:38462has
+ roleCHECKEDfalseorganic
+ thiophosphateCHEBI:37512is aCHECKEDfalseacaricideCHEBI:22153has
+ roleCHECKEDfalseagrochemicalCHEBI:33286has
+ roleCHECKEDfalse"
+ recorded_at: 2023-08-03 19:33:27 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: post
+ uri: http://www.ebi.ac.uk/webservices/chebi/2.0/webservice
+ body:
+ encoding: ''
+ string: |2-
+
+
+
+
+
+ CHEBI:38951
+
+
+
+ headers:
+ Accept: multipart/*
+ Content-Type: text/xml; charset=utf-8
+ SOAPAction: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ server: Apache-Coyote/1.1
+ content-type: text/xml;charset=utf-8
+ transfer-encoding: chunked
+ date: Thu, 03 Aug 2023 19:33:26 GMT
+ body:
+ encoding: ''
+ file: no
+ string: "CHEBI:38951tebupirimfosCHECKEDCCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)CInChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3AWYOMXWDGWUJHS-UHFFFAOYSA-N0318.37316318.116703O-(2-(1,1-Dimethylethyl)-5-pyrimidinyl)
+ O-ethyl O-(1-methylethyl) phosphorothioateSYNONYMChemIDplusO-(2-tert-butylpyrimidin-5-yl)
+ O-ethyl O-isopropyl thiophosphateSYNONYMIUPACPhosphorothioic
+ acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) esterSYNONYMChemIDplusPhostebupirimSYNONYMChemIDplusTebupirimphosSYNONYMChemIDplusO-(2-tert-butylpyrimidin-5-yl)
+ O-ethyl O-(propan-2-yl) phosphorothioateIUPAC NAMEIUPACC13H23N2O3PSChemIDplus96182-53-5CAS
+ Registry NumberKEGG COMPOUND96182-53-5CAS
+ Registry NumberChemIDplus\n
+ \ Marvin 07230717102D \n\n 20 20 0 0 0 0 999 V2000\n
+ \ -1.2315 2.5065 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2315
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+ \ 0\n 1.6264 2.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n
+ \ 2.1273 3.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9242
+ \ 2.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3408 2.9190
+ \ 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0\n 3.0553 3.3315 0.0000
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+ \ 0\n 4 5 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 7 1 0 0 0 0\n
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+ \ 0 0 0\n 15 16 1 0 0 0 0\n 16 19 1 0 0 0 0\n 19 17 1 0 0 0
+ \ 0\n 19 18 1 0 0 0 0\n 19 20 1 0 0 0 0\nM END\nmol2Dtrue1572PPDB
+ accessionC18692KEGG
+ COMPOUND accessionEC 3.1.1.7
+ (acetylcholinesterase) inhibitorCHEBI:38462has
+ roleCHECKEDfalseorganic
+ thiophosphateCHEBI:37512is aCHECKEDfalseorganothiophosphate
+ insecticideCHEBI:25715is aCHECKEDfalse2-tert-butylpyrimidin-5-olCHEBI:38952has
+ functional parentCHECKEDfalse"
+ recorded_at: 2023-08-03 19:33:27 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: post
+ uri: http://www.ebi.ac.uk/webservices/chebi/2.0/webservice
+ body:
+ encoding: ''
+ string: |2-
+
+
+
+
+
+ CHEBI:38954
+
+
+
+ headers:
+ Accept: multipart/*
+ Content-Type: text/xml; charset=utf-8
+ SOAPAction: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ server: Apache-Coyote/1.1
+ content-type: text/xml;charset=utf-8
+ transfer-encoding: chunked
+ date: Thu, 03 Aug 2023 19:33:27 GMT
+ body:
+ encoding: ''
+ file: no
+ string: |-
+ CHEBI:38954temephosAn organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group.CHECKEDS=P(OC)(OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC)OCInChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3WWJZWCUNLNYYAU-UHFFFAOYSA-N0466.473465.989733AbateSYNONYMChemIDplusO,O'-(thiodi-4,1-phenylene) bis(O,O-dimethyl phosphorothioate)SYNONYMAlan Wood's PesticidesO,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)SYNONYMChemIDplusO,O,O',O'-tetramethyl O,O'-(sulfanediyldi-4,1-phenylene) bis(phosphorothioate)SYNONYMAlan Wood's PesticidesO,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)SYNONYMIUPACO,O,O',O'-tetramethyl O,O'-thiodi-p-phenylene bis(phosphorothioate)SYNONYMAlan Wood's PesticidesO,O,O',O'-tetramethyl O,O'-thiodi-p-phenylene diphosphorothioateSYNONYMAlan Wood's PesticidesPhosphorothioic acid, O,O'-(thiodi-4,1-phenylene) O,O,O',O'-tetramethyl esterSYNONYMChemIDplustemefosSYNONYMAlan Wood's PesticidesWhile 'temephos' is the ISO-approved name, the name 'temefos' is approved by the World Health Organization.2016-12-15temephosSYNONYMChEBIO,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(phosphorothioate)IUPAC NAMEIUPACC16H20O6P2S3ChEBI1896901Beilstein Registry NumberBeilstein3383-96-8CAS Registry NumberAlan Wood's Pesticides3383-96-8CAS Registry NumberChemIDplus3383-96-8CAS Registry NumberNIST Chemistry WebBook27180726PubMed citationEurope PMC27419140PubMed citationEurope PMC
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diff --git a/tests/fixtures/chebi-correct.yml b/tests/fixtures/chebi-correct.yml
new file mode 100644
index 00000000..96118aa7
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+ \ 0 0 0 0 0 9 0 0\n -1.9841 0.0000 0.0000 C 0 0 0 0 0
+ \ 0 0 0 0 8 0 0\n 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0
+ \ 0 0 0 0 0 0\n -0.0001 1.6500 0.0000 O 0 0 0 0 0 0 0
+ \ 0 0 0 0 0\n -0.0001 -1.6500 0.0000 C 0 0 0 0 0 0 0 0
+ \ 0 0 0 0\n -1.7541 1.4520 0.0000 C 0 0 0 0 0 0 0 0 0
+ \ 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0
+ \ 0 0\n 8 1 1 0 0 0 0\n 2 1 2 0 0 0 0\n 7 2 1 0 0 0 0\n
+ \ 3 1 1 0 0 0 0\n 5 4 1 0 0 0 0\n 5 3 1 0 0 0 0\n 10 5
+ \ 2 0 0 0 0\n 6 2 1 0 0 0 0\n 6 4 1 0 0 0 0\n 11 6 2 0
+ \ 0 0 0\n 9 7 1 0 0 0 0\n 9 8 2 0 0 0 0\n 12 3 1 0 0 0
+ \ 0\n 13 7 1 0 0 0 0\n 14 4 1 0 0 0 0\nM APO 3 12 1 13 1
+ \ 14 1\nM STY 3 1 SUP 2 SUP 3 SUP\nM SAL 1 1 12\nM SBL 1
+ \ 1 13\nM SMT 1 Me\nM SAL 2 1 13\nM SBL 2 1 14\nM SMT 2 Me\nM
+ \ SAL 3 1 14\nM SBL 3 1 15\nM SMT 3 Me\nM END\nmol2Dfalse\n
+ \ Marvin 02080816533D \n\n 24 25 0 0 0 0 999 V2000\n
+ \ -0.8679 0.6241 -0.3283 C 0 0 0 0 0 0 0 0 0 4 0 0\n 0.4615
+ \ 0.7009 0.0829 C 0 0 0 0 0 0 0 0 0 5 0 0\n -1.5328 -0.5430
+ \ -0.4078 N 0 0 0 0 0 0 0 0 0 3 0 0\n 0.4263 -1.6660 0.3115
+ N 0 0 0 0 0 0 0 0 0 1 0 0\n -0.8724 -1.6645 -0.0706 C 0
+ \ 0 0 0 0 0 0 0 0 2 0 0\n 1.0847 -0.4998 0.4105 C 0 0
+ \ 0 0 0 0 0 0 0 6 0 0\n 0.8268 2.0015 0.0556 N 0 0 0
+ \ 0 0 0 0 0 0 7 0 0\n -1.2810 1.8740 -0.5971 N 0 0 0 0
+ \ 0 0 0 0 0 9 0 0\n -0.2509 2.6938 -0.3617 C 0 0 0 0 0
+ \ 0 0 0 0 8 0 0\n -1.4930 -2.7256 -0.1152 O 0 0 0 0 0 0
+ \ 0 0 0 0 0 0\n 2.2466 -0.4019 0.7856 O 0 0 0 0 0 0 0
+ \ 0 0 0 0 0\n -2.8808 -0.5274 -0.8405 C 0 0 0 0 0 0 0 0
+ \ 0 0 0 0\n 2.0890 2.5724 0.3917 C 0 0 0 0 0 0 0 0 0
+ \ 0 0 0\n 1.0842 -2.8976 0.5960 C 0 0 0 0 0 0 0 0 0 0
+ \ 0 0\n -0.3058 3.7063 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0
+ \ 0\n -3.5287 -0.9307 -0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0\n
+ \ -2.9888 -1.1295 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2978
+ \ 0.4525 -1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8617 2.1595
+ \ -0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3281 2.3436 1.4313
+ H 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1008 3.6589 0.2773 H 0
+ \ 0 0 0 0 0 0 0 0 0 0 0\n 1.0715 -3.5477 -0.2828 H 0 0
+ \ 0 0 0 0 0 0 0 0 0 0\n 0.5843 -3.4214 1.4149 H 0 0 0
+ \ 0 0 0 0 0 0 0 0 0\n 2.1343 -2.8322 0.8911 H 0 0 0 0
+ \ 0 0 0 0 0 0 0 0\n 8 1 4 0 0 0 0\n 2 1 4 0 0 0 0\n 7
+ \ 2 4 0 0 0 0\n 3 1 1 0 0 0 0\n 5 4 1 0 0 0 0\n 5 3 1
+ \ 0 0 0 0\n 10 5 2 0 0 0 0\n 6 2 1 0 0 0 0\n 6 4 1 0 0
+ \ 0 0\n 11 6 2 0 0 0 0\n 9 7 4 0 0 0 0\n 9 8 4 0 0 0 0\n
+ \ 9 15 1 0 0 0 0\n 12 3 1 0 0 0 0\n 13 7 1 0 0 0 0\n 14 4
+ \ 1 0 0 0 0\n 12 16 1 0 0 0 0\n 12 17 1 0 0 0 0\n 12 18 1 0
+ \ 0 0 0\n 13 19 1 0 0 0 0\n 13 20 1 0 0 0 0\n 13 21 1 0 0 0
+ \ 0\n 14 22 1 0 0 0 0\n 14 23 1 0 0 0 0\n 14 24 1 0 0 0 0\nM
+ \ APO 3 12 1 13 1 14 1\nM STY 3 1 SUP 2 SUP 3 SUP\nM SAL
+ \ 1 4 12 16 17 18\nM SBL 1 1 14\nM SMT 1 Me\nM SDS EXP 1 1\nM
+ \ SAL 2 4 13 19 20 21\nM SBL 2 1 15\nM SMT 2 Me\nM SDS EXP
+ \ 1 2\nM SAL 3 4 14 22 23 24\nM SBL 3 1 16\nM SMT 3 Me\nM
+ \ SDS EXP 1 3\nM END\nmol3Dfalse1-3-7-TRIMETHYLXANTHINEMetaCyc
+ accession463Drug
+ Central accessionC00001492KNApSAcK
+ accessionC07481KEGG
+ COMPOUND accessionCaffeineWikipedia
+ accessionCFFPDBeChem
+ accessionD00528KEGG
+ DRUG accessionDB00201DrugBank
+ accessionHMDB0001847HMDB
+ accessionLSM-2026LINCS
+ accessionEC 3.1.4.* (phosphoric
+ diester hydrolase) inhibitorCHEBI:50218has
+ roleCHECKEDfalsemouse
+ metaboliteCHEBI:75771has roleCHECKEDfalsegeroprotectorCHEBI:176497has
+ roleCHECKEDfalseEC
+ 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitorCHEBI:50925has
+ roleCHECKEDfalseryanodine
+ receptor agonistCHEBI:67114has roleCHECKEDfalsefungal
+ metaboliteCHEBI:76946has roleCHECKEDfalsepurine
+ alkaloidCHEBI:26385is aCHECKEDfalseadenosine
+ A2A receptor antagonistCHEBI:53121has
+ roleCHECKEDfalsepsychotropic
+ drugCHEBI:35471has roleCHECKEDfalsediureticCHEBI:35498has
+ roleCHECKEDfalsefood
+ additiveCHEBI:64047has roleCHECKEDfalseadjuvantCHEBI:60809has
+ roleCHECKEDfalsecentral
+ nervous system stimulantCHEBI:35337has
+ roleCHECKEDfalseadenosine
+ receptor antagonistCHEBI:71232has roleCHECKEDfalseplant
+ metaboliteCHEBI:76924has roleCHECKEDfalsehuman
+ blood serum metaboliteCHEBI:85234has
+ roleCHECKEDfalseenvironmental
+ contaminantCHEBI:78298has roleCHECKEDfalsexenobioticCHEBI:35703has
+ roleCHECKEDfalsetrimethylxanthineCHEBI:27134is
+ aCHECKEDfalsemutagenCHEBI:25435has
+ roleCHECKEDfalsecaffeine
+ monohydrateCHEBI:31332has partCHECKEDfalse8-(3-chlorostyryl)caffeineCHEBI:53115has
+ functional parentCHECKEDfalsesodium
+ caffeine benzoateCHEBI:32140has partCHECKEDfalseStravs
+ M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag2014-10-29Mus
+ musculusNCBI:txid10090PubMed
+ Id19425150Theobroma
+ cacaoNCBI:txid3641DOI10.1016/S0031-9422(00)00169-2Camellia
+ sinensisNCBI:txid4442PubMed
+ Id18068204Claviceps
+ sorghicolaNCBI:txid83213DOI10.1016/S0031-9422(00)00169-2Homo
+ sapiensNCBI:txid9606bloodUBERON:0000178ArticleMcPherson,
+ Richard A., ed. Tietz Clinical Guide to LaboratoryHomo
+ sapiensNCBI:txid9606cerebrospinal
+ fluidUBERON:0001359PubMed
+ Id17684518Homo
+ sapiensNCBI:txid9606salivaUBERON:0001836PubMed
+ Id12097436Homo
+ sapiensNCBI:txid9606urineBTO:0001419PubMed
+ Id21389975Homo
+ sapiensNCBI:txid9606blood
+ serumBTO:0000133MetaboLightsMTBLS90Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS88Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS266Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS263Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS124Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS264Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS93Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS87Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS90Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS267Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS265Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS100Homo
+ sapiensNCBI:txid9606MetaboLightsMTBLS20"
+ recorded_at: 2023-08-03 19:34:28 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
diff --git a/tests/fixtures/chebi-smiles.yml b/tests/fixtures/chebi-smiles.yml
new file mode 100644
index 00000000..c8972e4a
--- /dev/null
+++ b/tests/fixtures/chebi-smiles.yml
@@ -0,0 +1,86 @@
+http_interactions:
+- request:
+ method: post
+ uri: http://www.ebi.ac.uk/webservices/chebi/2.0/webservice
+ body:
+ encoding: ''
+ string: |-
+
+
+
+
+ triclosan
+ ALL
+ 200
+ ALL
+
+
+
+ headers:
+ Accept: multipart/*
+ Content-Type: text/xml; charset=utf-8
+ SOAPAction: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ server: Apache-Coyote/1.1
+ content-type: text/xml;charset=utf-8
+ transfer-encoding: chunked
+ date: Thu, 03 Aug 2023 19:34:28 GMT
+ body:
+ encoding: ''
+ file: no
+ string: CHEBI:164200triclosan0.883CHEBI:89302Triclosan
+ glucuronide0.262CHEBI:89301Triclosan
+ sulfate0.132
+ recorded_at: 2023-08-03 19:34:29 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: post
+ uri: http://www.ebi.ac.uk/webservices/chebi/2.0/webservice
+ body:
+ encoding: ''
+ string: |2-
+
+
+
+
+
+ C#C
+ SMILES
+ 200
+ ALL
+
+
+
+ headers:
+ Accept: multipart/*
+ Content-Type: text/xml; charset=utf-8
+ SOAPAction: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ server: Apache-Coyote/1.1
+ content-type: text/xml;charset=utf-8
+ transfer-encoding: chunked
+ date: Thu, 03 Aug 2023 19:34:28 GMT
+ body:
+ encoding: ''
+ file: no
+ string: CHEBI:27518acetylene5.013
+ recorded_at: 2023-08-03 19:34:29 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
diff --git a/tests/fixtures/cts_compinfo.yml b/tests/fixtures/cts_compinfo.yml
new file mode 100644
index 00000000..1adff5f5
--- /dev/null
+++ b/tests/fixtures/cts_compinfo.yml
@@ -0,0 +1,4203 @@
+http_interactions:
+- request:
+ method: get
+ uri: http://cts.fiehnlab.ucdavis.edu/service/compound/XEFQLINVKFYRCS-UHFFFAOYSA-N
+ body:
+ encoding: ''
+ string: ''
+ headers:
+ Accept: application/json, text/xml, application/xml, */*
+ Content-Type: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ date: Thu, 03 Aug 2023 19:55:40 GMT
+ vary: Accept-Encoding
+ content-encoding: gzip
+ content-type: application/json;charset=utf-8
+ transfer-encoding: chunked
+ body:
+ encoding: ''
+ file: no
+ string: "{\n \"inchikey\": \"XEFQLINVKFYRCS-UHFFFAOYSA-N\",\n \"inchicode\":
+ \"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H\",\n
+ \ \"molweight\": 289.54204,\n \"exactmass\": 287.95116,\n \"formula\": \"C12H7Cl3O2\",\n
+ \ \"dataSourcesCount\": 120,\n \"referencesCount\": 854,\n \"pubmedHits\":
+ 1547,\n \"smiles\": \"\",\n \"synonyms\": \n [\n {\n \"type\":
+ \"Synonym\",\n \"name\": \"Triclosan\",\n \"score\": 0\n },\n
+ \ {\n \"type\": \"Synonym\",\n \"name\": \"DNDI1246774\",\n \"score\":
+ 0\n },\n {\n \"type\": \"IUPAC Name (Allowed)\",\n \"name\":
+ \"5-chloro-2-(2,4-dichlorophenoxy)phenol\",\n \"score\": 0\n },\n
+ \ {\n \"type\": \"IUPAC Name (Preferred)\",\n \"name\": \"Triclosan\",\n
+ \ \"score\": 0\n },\n {\n \"type\": \"Synonym\",\n \"name\":
+ \"triclosan\",\n \"score\": 0\n },\n {\n \"type\": \"Synonym\",\n
+ \ \"name\": \"Irgasan DP 30\",\n \"score\": 0\n },\n {\n \"type\":
+ \"Synonym\",\n \"name\": \"CH-3565\",\n \"score\": 0\n },\n {\n
+ \ \"type\": \"Synonym\",\n \"name\": \"5-chloro-2-(2, 4-dichlorophenoxy)phenol\",\n
+ \ \"score\": 0\n },\n {\n \"type\": \"IUPAC Name (CAS-like
+ Style)\",\n \"name\": \"5-chloro-2-(2,4-dichlorophenoxy)phenol\",\n \"score\":
+ 0\n },\n {\n \"type\": \"Synonym\",\n \"name\": \"Triclosan
+ (USP/INN)\",\n \"score\": 0\n },\n {\n \"type\": \"IUPAC Name
+ (Preferred)\",\n \"name\": \"5-chloro-2-(2,4-dichlorophenoxy)phenol\",\n
+ \ \"score\": 0\n },\n {\n \"type\": \"IUPAC Name (Traditional)\",\n
+ \ \"name\": \"5-chloro-2-(2,4-dichlorophenoxy)phenol\",\n \"score\":
+ 0\n },\n {\n \"type\": \"IUPAC Name (Systematic)\",\n \"name\":
+ \"2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenol\",\n \"score\": 0\n
+ \ },\n {\n \"type\": \"Synonym\",\n \"name\": \"Stri-Dex cleansing
+ bar (TN)\",\n \"score\": 0\n },\n {\n \"type\": \"Synonym\",\n
+ \ \"name\": \"Cloxifenol\",\n \"score\": 0\n }\n ],\n \"externalIds\":
+ \n [\n {\n \"name\": \"BindingDB\",\n \"value\": \"8726\",\n
+ \ \"url\": \"http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8726&entryid=1081\"\n
+ \ },\n {\n \"name\": \"Tox21\",\n \"value\": \"NCGC00159417-02\",\n
+ \ \"url\": \"https://tripod.nih.gov/tox21/samples/Tox21_111648\"\n },\n
+ \ {\n \"name\": \"MMDB\",\n \"value\": \"77488.6\",\n \"url\":
+ \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=77488\"\n },\n
+ \ {\n \"name\": \"MMDB\",\n \"value\": \"87724.6\",\n \"url\":
+ \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=87724\"\n },\n
+ \ {\n \"name\": \"Pubchem SID\",\n \"value\": \"24698180\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24698180\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"86373.6\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=86373\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"136907267\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=136907267\"\n
+ \ },\n {\n \"name\": \"ICCB-Longwood/NSRB Screening Facility, Harvard
+ Medical School\",\n \"value\": \"HMS2270M06\",\n \"url\": \"\"\n
+ \ },\n {\n \"name\": \"AK Scientific, Inc. (AKSCI)\",\n \"value\":
+ \"69778\",\n \"url\": \"http://www.aksci.com/item_detail.php?cat=69778\"\n
+ \ },\n {\n \"name\": \"TimTec\",\n \"value\": \"ST50826110\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Human Metabolome Database\",\n
+ \ \"value\": \"HMDB0061385\",\n \"url\": \"http://www.hmdb.ca/metabolites/HMDB0061385\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"87723.5\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=87723\"\n
+ \ },\n {\n \"name\": \"PubChem CID\",\n \"value\": \"5564\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi\"\n
+ \ },\n {\n \"name\": \"CAPOT\",\n \"value\": \"PubChem9026\",\n
+ \ \"url\": \"http://www.capotchem.com/en/9026.htm\"\n },\n {\n \"name\":
+ \"Pubchem SID\",\n \"value\": \"117695801\",\n \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=117695801\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"830483\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=830483\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"124767531\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=124767531\"\n
+ \ },\n {\n \"name\": \"Chembo\",\n \"value\": \"KB-197273\",\n
+ \ \"url\": \"http://www.chembopharma.com/search/?keyword=KB-197273\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"196106428\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=196106428\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"179113938\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=179113938\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"56314344\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=56314344\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"29589.3\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=29589\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"89177.4\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=89177\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"223403966\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=223403966\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"92519.4\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=92519\"\n
+ \ },\n {\n \"name\": \"ChemIDplus\",\n \"value\": \"0003380345\",\n
+ \ \"url\": \"http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced®no=0003380345\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"252091693\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=252091693\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"13861.4\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=13861\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"57244094\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=57244094\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"135668580\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=135668580\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"91011813\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=91011813\"\n
+ \ },\n {\n \"name\": \"Angene Chemical\",\n \"value\": \"5-Chloro-2-(2,4-dichlorophenoxy)phenol\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Pubchem SID\",\n \"value\":
+ \"10322303\",\n \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10322303\"\n
+ \ },\n {\n \"name\": \"CAS\",\n \"value\": \"105093-20-7\",\n
+ \ \"url\": \"http://www.cas.org/\"\n },\n {\n \"name\": \"Boerchem\",\n
+ \ \"value\": \"BC678270\",\n \"url\": \"http://www.boerchemical.com/?product_39712.html\"\n
+ \ },\n {\n \"name\": \"Key Organics/BIONET\",\n \"value\":
+ \"KS-5356\",\n \"url\": \"http://www.keyorganics.net/bionet/catalog/product/view/id/516952\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"249832222\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=249832222\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"184558641\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=184558641\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"14720377\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14720377\"\n
+ \ },\n {\n \"name\": \"SureChEMBL\",\n \"value\": \"SCHEMBL3269\",\n
+ \ \"url\": \"https://www.surechembl.org/chemical/SCHEMBL3269\"\n },\n
+ \ {\n \"name\": \"Pubchem SID\",\n \"value\": \"92308067\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=92308067\"\n
+ \ },\n {\n \"name\": \"KEGG\",\n \"value\": \"D06226\",\n \"url\":
+ \"http://www.genome.jp/dbget-bin/www_bget?dr:D06226\"\n },\n {\n \"name\":
+ \"MMDB\",\n \"value\": \"24741.4\",\n \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=24741\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"87350665\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=87350665\"\n
+ \ },\n {\n \"name\": \"EPA DSSTox\",\n \"value\": \"49387\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/geo/query/acc.cgi?acc=GSE1642\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"113584955\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=113584955\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"226395494\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=226395494\"\n
+ \ },\n {\n \"name\": \"chemicalize.org by ChemAxon\",\n \"value\":
+ \"3314\",\n \"url\": \"http://www.chemicalize.org/structure/#!mol=5-Chlor-2-%282%2C4-dichlorphenoxy%29-phenol&source=pubchem\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"48426058\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=48426058\"\n
+ \ },\n {\n \"name\": \"ChemFrog\",\n \"value\": \"888-827-166\",\n
+ \ \"url\": \"http://www.chemfrog.com/getPSupply/RHMLL/\"\n },\n {\n
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+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99453849\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"14922470\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14922470\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"57260158\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=57260158\"\n
+ \ },\n {\n \"name\": \"EPA DSSTox\",\n \"value\": \"37767\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"NIH Clinical Collection\",\n
+ \ \"value\": \"SAM002554907\",\n \"url\": \"\"\n },\n {\n \"name\":
+ \"Tractus\",\n \"value\": \"TR-014090\",\n \"url\": \"\"\n },\n
+ \ {\n \"name\": \"Pubchem SID\",\n \"value\": \"56313852\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=56313852\"\n
+ \ },\n {\n \"name\": \"Oakwood Products\",\n \"value\": \"079476\",\n
+ \ \"url\": \"http://www.oakwoodchemical.com/ProductsList.aspx?CategoryID=-2&txtSearch=64650&ExtHyperLink=1\"\n
+ \ },\n {\n \"name\": \"Collaborative Drug Discovery, Inc.\",\n \"value\":
+ \"2304\",\n \"url\": \"https://app.collaborativedrug.com/public/structures/2304\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"186020461\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=186020461\"\n
+ \ },\n {\n \"name\": \"A&J Pharmtech CO., LTD.\",\n \"value\":
+ \"ZB000507\",\n \"url\": \"http://www.ajpharmtech.com/\"\n },\n {\n
+ \ \"name\": \"\",\n \"value\": \"50-7869\",\n \"url\": \"http://www.greenchempharm.com/\"\n
+ \ },\n {\n \"name\": \"DTP/NCI\",\n \"value\": \"759151\",\n
+ \ \"url\": \"http://dtp.nci.nih.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759151\"\n
+ \ },\n {\n \"name\": \"ChEMBL\",\n \"value\": \"CHEMBL849\",\n
+ \ \"url\": \"https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL849\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"176324148\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=176324148\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"241151993\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=241151993\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"26759661\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=26759661\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"170481145\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=170481145\"\n
+ \ },\n {\n \"name\": \"Broad Institute\",\n \"value\": \"BRD-K41731458-001-09-4\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Pubchem SID\",\n \"value\":
+ \"223485437\",\n \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=223485437\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"49968902\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49968902\"\n
+ \ },\n {\n \"name\": \"ABI Chem\",\n \"value\": \"AC1L1KMN\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"ChemMol\",\n \"value\":
+ \"99084008\",\n \"url\": \"http://www.chemmol.com/chemmol/99084008.html\"\n
+ \ },\n {\n \"name\": \"MolPort\",\n \"value\": \"MolPort-003-666-702\",\n
+ \ \"url\": \"https://www.molport.com/shop/molecule-link/MolPort-003-666-702\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"104170014\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=104170014\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"174006648\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=174006648\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"160809838\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=160809838\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"836967\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=836967\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"45855.6\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=45855\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"172848469\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=172848469\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"124813021\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=124813021\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"223519140\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=223519140\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"144214040\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=144214040\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"174477329\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=174477329\"\n
+ \ },\n {\n \"name\": \"MLSMR\",\n \"value\": \"MLS001066347\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Pubchem SID\",\n \"value\":
+ \"163812839\",\n \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=163812839\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"38016.7\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=38016\"\n
+ \ },\n {\n \"name\": \"King Scientific\",\n \"value\": \"KSC498G0D\",\n
+ \ \"url\": \"http://www.kingscientific.com/pro_result/8687/\"\n },\n
+ \ {\n \"name\": \"Pubchem SID\",\n \"value\": \"252039861\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=252039861\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"162174892\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=162174892\"\n
+ \ },\n {\n \"name\": \"Ark Pharm, Inc.\",\n \"value\": \"AK-73001\",\n
+ \ \"url\": \"http://www.arkpharminc.com/web/products-detail.html?catalogno=AK-73001\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"99398.10\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=99398\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"144075889\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=144075889\"\n
+ \ },\n {\n \"name\": \"A&J Pharmtech CO., LTD.\",\n \"value\":
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+ \ \"name\": \"Pubchem SID\",\n \"value\": \"241074904\",\n \"url\":
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+ \ \"url\": \"http://www.ibm.com/gbs/nih/?sid=96566AD92878ECA0254CFD7818088D7A&ik=XEFQLINVKFYRCS-UHFFFAOYSA-N\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"99445075\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99445075\"\n
+ \ },\n {\n \"name\": \"Tox21\",\n \"value\": \"NCGC00159417-05\",\n
+ \ \"url\": \"https://tripod.nih.gov/tox21/samples/Tox21_111648_1\"\n },\n
+ \ {\n \"name\": \"Pubchem SID\",\n \"value\": \"85172710\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=85172710\"\n
+ \ },\n {\n \"name\": \"Therapeutic Targets Database\",\n \"value\":
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+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"124892178\",\n
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+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"223454576\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=223454576\"\n
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+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=90005\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"87577595\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=87577595\"\n
+ \ },\n {\n \"name\": \"NCGC\",\n \"value\": \"NCGC00159417-06\",\n
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+ \ },\n {\n \"name\": \"labseeker\",\n \"value\": \"SC-16588\",\n
+ \ \"url\": \"http://www.labseeker.com/goods.php?id=22337\"\n },\n {\n
+ \ \"name\": \"Pubchem SID\",\n \"value\": \"103905763\",\n \"url\":
+ \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=103905763\"\n },\n
+ \ {\n \"name\": \"Berrchem\",\n \"value\": \"BR-73001\",\n \"url\":
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+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49832484\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"134340679\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=134340679\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"124892177\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=124892177\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"143858045\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=143858045\"\n
+ \ },\n {\n \"name\": \"NCGC\",\n \"value\": \"NCGC00159417-07\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"ChemMol\",\n \"value\":
+ \"1034685\",\n \"url\": \"http://www.chemmol.com/chemmol/1034685.html\"\n
+ \ },\n {\n \"name\": \"AKos Consulting & Solutions\",\n \"value\":
+ \"AKOS015850380\",\n \"url\": \"http://akoscompounds.de/catalogue/akossamplesretrieval.php?IDNUMBERS=AKOS015850380\"\n
+ \ },\n {\n \"name\": \"KEGG\",\n \"value\": \"C12059\",\n \"url\":
+ \"http://www.genome.jp/dbget-bin/www_bget?cpd:C12059\"\n },\n {\n \"name\":
+ \"Pubchem SID\",\n \"value\": \"175611134\",\n \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=175611134\"\n
+ \ },\n {\n \"name\": \"EPA DSSTox\",\n \"value\": \"48839\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/geo/query/acc.cgi?acc=GSE8861\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"22126.7\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=22126\"\n
+ \ },\n {\n \"name\": \"AmicBase - Antimicrobial Activities\",\n
+ \ \"value\": \"6191\",\n \"url\": \"http://www.manetec-52.de/apps/amicbase_drugs-online/base.nsf/WebMain4?SearchView&Query=%28%5BDocType%5D=%22DataFormular%22%29%20AND%20%28%5BLine_1_S%5D=%28%226191*%22%29%29&SearchWV=FALSE&SearchOrder=4&SearchMax=0&Count=50&Start=1&SearchBasis=extern2&FromView=WebMain4\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"144071986\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=144071986\"\n
+ \ },\n {\n \"name\": \"SMID\",\n \"value\": \"TCL\",\n \"url\":
+ \"http://smid.blueprint.org/SMInfo.php?hetname=TCL\"\n },\n {\n \"name\":
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+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"131311043\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=131311043\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"144071804\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=144071804\"\n
+ \ },\n {\n \"name\": \"MLSMR\",\n \"value\": \"MLS001335938\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Shanghai Institute of
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+ \ },\n {\n \"name\": \"MLSMR\",\n \"value\": \"MLS001074876\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Pubchem SID\",\n \"value\":
+ \"113584959\",\n \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=113584959\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"85256706\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=85256706\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"11303.4\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=11303\"\n
+ \ },\n {\n \"name\": \"EPA DSSTox\",\n \"value\": \"40328\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Thomson Pharma\",\n
+ \ \"value\": \"00026732\",\n \"url\": \"http://www.thomson-pharma.com/report/chemistry?ch=TS00026732\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"53800864\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=53800864\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"103022876\",\n
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+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"89179.4\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=89179\"\n
+ \ },\n {\n \"name\": \"Amadis Chemical\",\n \"value\": \"A821950\",\n
+ \ \"url\": \"http://www.amadischem.com/en-US/ProductDetail.aspx?catalog=A821950\"\n
+ \ },\n {\n \"name\": \"NIST\",\n \"value\": \"XEFQLINVKFYRCS-UHFFFAOYSA-N\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Pubchem SID\",\n \"value\":
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+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"170483649\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=170483649\"\n
+ \ },\n {\n \"name\": \"ICCB-Longwood/NSRB Screening Facility, Harvard
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+ \ \"url\": \"http://chemdb.niaid.nih.gov/CompoundDetails.aspx?AIDSNO=095068\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"163687196\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=163687196\"\n
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diff --git a/tests/fixtures/cts_convert.yml b/tests/fixtures/cts_convert.yml
new file mode 100644
index 00000000..ded9962c
--- /dev/null
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+http_interactions:
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+ response:
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+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
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+ vary: Accept-Encoding
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+ "The Scripps Research Institute Molecular Screening Center",
+ "DrugBank",
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+ "MolPort",
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+ "ChemBridge",
+ "GlaxoSmithKline (GSK)",
+ "NINDS Approved Drug Screening Program",
+ "NIST",
+ "SCRIPDB",
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+ "DiscoveryGate",
+ "Specs",
+ "Ambinter",
+ "Emory University Molecular Libraries Screening Center",
+ "MLSMR",
+ "Vitas-M Laboratory",
+ "AAA Chemistry",
+ "ChemFrog",
+ "Isoprenoids",
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+ "ALDRICH",
+ "Ambit Biosciences",
+ "CLRI (CSIR)",
+ "InFarmatik",
+ "IS Chemical Technology",
+ "MOLI",
+ "SIGMA",
+ "Tetrahedron Scientific Inc",
+ "Thomson Pharma",
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+ "AbMole Bioscience",
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+ "Acorn PharmaTech",
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+ "Adooq BioScience",
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+ "SGCOxCompounds",
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+ "Shanghai Sinofluoro Scientific Company",
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+ "UCLA Molecular Screening Shared Resource",
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+ "AKos Consulting & Solutions",
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+ "Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)",
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+ "Selleckbio",
+ "Selleck Chemicals",
+ "SGCOxCompounds",
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diff --git a/tests/fixtures/cts_from-to.yml b/tests/fixtures/cts_from-to.yml
new file mode 100644
index 00000000..c0196b82
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+ \ {\n \"type\": \"Synonym\",\n \"name\": \"DNDI1246774\",\n \"score\":
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+ \"DAP001435\",\n \"url\": \"http://bidd.nus.edu.sg/group/cjttd/ZFTTDDRUG.asp?ID=DAP001435\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"124892178\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=124892178\"\n
+ \ },\n {\n \"name\": \"NovoSeek\",\n \"value\": \"5564\",\n
+ \ \"url\": \"http://www.novoseek.com/AccessPoint.action?corpus=MEDLINE&externalDBId=cid%3d5564&DBName=pubchem&actionName=search&bioType=drug\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"223454576\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=223454576\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"90005.4\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=90005\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"87577595\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=87577595\"\n
+ \ },\n {\n \"name\": \"NCGC\",\n \"value\": \"NCGC00159417-06\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"MMDB\",\n \"value\":
+ \"43581.4\",\n \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=43581\"\n
+ \ },\n {\n \"name\": \"labseeker\",\n \"value\": \"SC-16588\",\n
+ \ \"url\": \"http://www.labseeker.com/goods.php?id=22337\"\n },\n {\n
+ \ \"name\": \"Pubchem SID\",\n \"value\": \"103905763\",\n \"url\":
+ \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=103905763\"\n },\n
+ \ {\n \"name\": \"Berrchem\",\n \"value\": \"BR-73001\",\n \"url\":
+ \"\"\n },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"49832484\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49832484\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"134340679\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=134340679\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"124892177\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=124892177\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"143858045\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=143858045\"\n
+ \ },\n {\n \"name\": \"NCGC\",\n \"value\": \"NCGC00159417-07\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"ChemMol\",\n \"value\":
+ \"1034685\",\n \"url\": \"http://www.chemmol.com/chemmol/1034685.html\"\n
+ \ },\n {\n \"name\": \"AKos Consulting & Solutions\",\n \"value\":
+ \"AKOS015850380\",\n \"url\": \"http://akoscompounds.de/catalogue/akossamplesretrieval.php?IDNUMBERS=AKOS015850380\"\n
+ \ },\n {\n \"name\": \"KEGG\",\n \"value\": \"C12059\",\n \"url\":
+ \"http://www.genome.jp/dbget-bin/www_bget?cpd:C12059\"\n },\n {\n \"name\":
+ \"Pubchem SID\",\n \"value\": \"175611134\",\n \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=175611134\"\n
+ \ },\n {\n \"name\": \"EPA DSSTox\",\n \"value\": \"48839\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/geo/query/acc.cgi?acc=GSE8861\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"22126.7\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=22126\"\n
+ \ },\n {\n \"name\": \"AmicBase - Antimicrobial Activities\",\n
+ \ \"value\": \"6191\",\n \"url\": \"http://www.manetec-52.de/apps/amicbase_drugs-online/base.nsf/WebMain4?SearchView&Query=%28%5BDocType%5D=%22DataFormular%22%29%20AND%20%28%5BLine_1_S%5D=%28%226191*%22%29%29&SearchWV=FALSE&SearchOrder=4&SearchMax=0&Count=50&Start=1&SearchBasis=extern2&FromView=WebMain4\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"144071986\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=144071986\"\n
+ \ },\n {\n \"name\": \"SMID\",\n \"value\": \"TCL\",\n \"url\":
+ \"http://smid.blueprint.org/SMInfo.php?hetname=TCL\"\n },\n {\n \"name\":
+ \"Pubchem SID\",\n \"value\": \"162766619\",\n \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=162766619\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"131311043\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=131311043\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"144071804\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=144071804\"\n
+ \ },\n {\n \"name\": \"MLSMR\",\n \"value\": \"MLS001335938\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Shanghai Institute of
+ Organic Chemistry\",\n \"value\": \"1nhg\",\n \"url\": \"http://www.pdbbind-cn.org/quickpdb.asp?quickpdb=1nhg\"\n
+ \ },\n {\n \"name\": \"MLSMR\",\n \"value\": \"MLS001074876\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Pubchem SID\",\n \"value\":
+ \"113584959\",\n \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=113584959\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"85256706\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=85256706\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"11303.4\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=11303\"\n
+ \ },\n {\n \"name\": \"EPA DSSTox\",\n \"value\": \"40328\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Thomson Pharma\",\n
+ \ \"value\": \"00026732\",\n \"url\": \"http://www.thomson-pharma.com/report/chemistry?ch=TS00026732\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"53800864\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=53800864\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"103022876\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=103022876\"\n
+ \ },\n {\n \"name\": \"MMDB\",\n \"value\": \"89179.4\",\n
+ \ \"url\": \"http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=89179\"\n
+ \ },\n {\n \"name\": \"Amadis Chemical\",\n \"value\": \"A821950\",\n
+ \ \"url\": \"http://www.amadischem.com/en-US/ProductDetail.aspx?catalog=A821950\"\n
+ \ },\n {\n \"name\": \"NIST\",\n \"value\": \"XEFQLINVKFYRCS-UHFFFAOYSA-N\",\n
+ \ \"url\": \"\"\n },\n {\n \"name\": \"Pubchem SID\",\n \"value\":
+ \"138139326\",\n \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=138139326\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"170483649\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=170483649\"\n
+ \ },\n {\n \"name\": \"ICCB-Longwood/NSRB Screening Facility, Harvard
+ Medical School\",\n \"value\": \"HMS3259K19\",\n \"url\": \"http://iccb.med.harvard.edu/screening/compound_libraries/ncc2.htm\"\n
+ \ },\n {\n \"name\": \"NIAID\",\n \"value\": \"095068\",\n
+ \ \"url\": \"http://chemdb.niaid.nih.gov/CompoundDetails.aspx?AIDSNO=095068\"\n
+ \ },\n {\n \"name\": \"Pubchem SID\",\n \"value\": \"163687196\",\n
+ \ \"url\": \"https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=163687196\"\n
+ \ }\n ]\n}"
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+ [
+ "BioCyc",
+ "CAS",
+ "ChEBI",
+ "Chemical Name",
+ "Human Metabolome Database",
+ "InChIKey",
+ "KEGG",
+ "LMSD",
+ "LipidMAPS",
+ "PubChem CID",
+ "SMILES",
+ "Pubchem SID",
+ "ChemSpider",
+ "ChemDB",
+ "ChEMBL",
+ "ChemBank",
+ "ZINC",
+ "Broad Institute",
+ "The Scripps Research Institute Molecular Screening Center",
+ "DrugBank",
+ "MMDB",
+ "ChemMol",
+ "NIAID",
+ "Southern Research Institute",
+ "NIH Clinical Collection",
+ "Comparative Toxicogenomics Database",
+ "MolPort",
+ "SMID",
+ "ChemBridge",
+ "GlaxoSmithKline (GSK)",
+ "NINDS Approved Drug Screening Program",
+ "NIST",
+ "SCRIPDB",
+ "Southern Research Specialized Biocontainment Screening Center",
+ "TimTec",
+ "Tox21",
+ "Web of Science",
+ "ABI Chem",
+ "Center for Chemical Genomics, University of Michigan",
+ "ChemIDplus",
+ "Sigma-Aldrich",
+ "ASINEX",
+ "ChemBlock",
+ "DiscoveryGate",
+ "Specs",
+ "Ambinter",
+ "Emory University Molecular Libraries Screening Center",
+ "MLSMR",
+ "Vitas-M Laboratory",
+ "AAA Chemistry",
+ "ChemFrog",
+ "Isoprenoids",
+ "NCGC",
+ "Acesobio",
+ "ALDRICH",
+ "Ambit Biosciences",
+ "CLRI (CSIR)",
+ "InFarmatik",
+ "IS Chemical Technology",
+ "MOLI",
+ "SIGMA",
+ "Tetrahedron Scientific Inc",
+ "Thomson Pharma",
+ "ABBLIS Chemicals",
+ "Abbott Labs",
+ "AbMole Bioscience",
+ "Achemica",
+ "Acorn PharmaTech",
+ "Active Biopharma",
+ "Adooq BioScience",
+ "AKos Consulting & Solutions",
+ "AK Scientific, Inc. (AKSCI)",
+ "Alagar Yadav, Karpagam University",
+ "Alinda Chemical",
+ "Alsachim",
+ "Amadis Chemical",
+ "Amatye",
+ "AmicBase - Antimicrobial Activities",
+ "Angene Chemical",
+ "Angene International",
+ "Ark Pharm, Inc.",
+ "BioChemPartner",
+ "BroadPharm",
+ "Chembase.cn",
+ "Chembo",
+ "chemicalize.org by ChemAxon",
+ "Fragmenta",
+ "Anitha, Department of Bioinformatics, Karpagam University",
+ "Annker Organics",
+ "Anward",
+ "Apeiron Synthesis",
+ "ApexBio Technology",
+ "Apexmol",
+ "Aromsyn catalogue",
+ "Aronis",
+ "Aurora Fine Chemicals LLC",
+ "Aurum Pharmatech LLC",
+ "Avanti Polar Lipids",
+ "Beijing Advanced Technology Co, Ltd",
+ "Bertin Pharma",
+ "Bhaskar Lab, Department of Zoology, Sri Venkateswara University",
+ "BIDD",
+ "BIND",
+ "BindingDB",
+ "Biological Magnetic Resonance Data Bank (BMRB)",
+ "Bioprocess Technology Lab, Department of Microbiology, Bharathidasan University",
+ "Biosynth",
+ "Burnham Center for Chemical Genomics",
+ "Calbiochem",
+ "Cambridge Crystallographic Data Centre",
+ "CAPOT",
+ "Cayman Chemical",
+ "CC_PMLSC",
+ "ChemExper Chemical Directory",
+ "Chemical Biology Department, Max Planck Institute of Molecular Physiology",
+ "ChemScene",
+ "ChemSynthesis",
+ "ChemTik",
+ "Chiralblock Biosciences",
+ "Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)",
+ "CMLD-BU",
+ "Columbia University Molecular Screening Center",
+ "Creasyn Finechem",
+ "Department of Pharmacy, LMU",
+ "DTP/NCI",
+ "EDASA Scientific Compounds June 2013",
+ "EMD Biosciences",
+ "Enamine",
+ "Ennopharm",
+ "EPA DSSTox",
+ "Excenen Pharmatech",
+ "Exchemistry",
+ "FINETECH",
+ "Finley and King Labs, Harvard Medical School",
+ "FLUKA",
+ "ForeChem",
+ "Georganics",
+ "GLIDA, GPCR-Ligand Database",
+ "GNF / Scripps Winzeler lab",
+ "Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology",
+ "Hangzhou APIChem Technology",
+ "Hangzhou Trylead Chemical Technology",
+ "HDH Pharma",
+ "HUMGENEX",
+ "IBCH RAS",
+ "IBM",
+ "ICCB-Longwood/NSRB Screening Facility, Harvard Medical School",
+ "Immunology Lab, Department of Biotechnology, Calicut University",
+ "Inhibitor 2",
+ "Insect Molecular Biology Lab, Department of Environmental Biotechnology, Bharathidasan University",
+ "iThemba Pharmaceuticals",
+ "IUPHAR-DB",
+ "Jamson Pharmachem Technology",
+ "Japan Chemical Substance Dictionary (Nikkaji)",
+ "Johns Hopkins Ion Channel Center",
+ "Kingston Chemistry",
+ "KUMGM",
+ "LeadScope",
+ "MedChemexpress MCE",
+ "MICAD",
+ "MIC Scientific",
+ "Milwaukee Institute for Drug Discovery",
+ "Molecular Libraries Program, Specialized Chemistry Center, University of Kansas",
+ "MP Biomedicals",
+ "MTDP",
+ "Nanjing Pharmaceutical Factory",
+ "Nantong Baihua Bio-Pharmaceutical Co., Ltd",
+ "Nature Chemical Biology",
+ "Nature Chemistry",
+ "Nature Communications",
+ "NIST Chemistry WebBook",
+ "Nitric Oxide Research, National Cancer Institute (NCI)",
+ "NMMLSC",
+ "NMRShiftDB",
+ "NovoSeek",
+ "Oakwood Products",
+ "ORST SMALL MOLECULE SCREENING CENTER",
+ "P3 BioSystems",
+ "PANACHE",
+ "Paul Baures",
+ "PCMD",
+ "PDSP",
+ "PENN-ABS",
+ "PennChem-GAM",
+ "PFC",
+ "P.Ravikumar, M.Jeyam and G.Shalini. Biochematics Division, Bharathiar University",
+ "priyadharshini sabarathinam angayarkanni murugesh palaniswamy",
+ "Prous Science Drugs of the Future",
+ "Rangan Lab, Department of Biotechnology, IIT Guwahati",
+ "R&D Chemicals",
+ "R.Sathishkumar, Phytomatics Laboratory, Department of Bioinformatics, Bharathiar University",
+ "RSChem, LLC",
+ "SASTRA University, Quorum sensing and Peptidomimetics Laboratory",
+ "Selleckbio",
+ "Selleck Chemicals",
+ "SGCOxCompounds",
+ "SGCStoCompounds",
+ "S.GURUDEEBAN, T.RAMANATHAN & K.SATYAVANI, Marine Medicinal Plant Biotechnology Laboratory, Faculty of Marine Sciences, Annamalai Universtiy",
+ "Shanghai Institute of Organic Chemistry",
+ "Shanghai Sinofluoro Scientific Company",
+ "SLING Consortium",
+ "SRMLSC",
+ "Structural Genomics Consortium",
+ "SureChem",
+ "SYNCHEM OHG",
+ "Syntechem",
+ "TCI (Tokyo Chemical Industry)",
+ "ten Dijke Lab, Leiden University Medical Center",
+ "Therapeutic Targets Database",
+ "Total TOSLab Building-Blocks",
+ "True PharmaChem",
+ "Tyger Scientific",
+ "UCLA Molecular Screening Shared Resource",
+ "UM-BBD",
+ "UniCarbKB",
+ "University of Pittsburgh Molecular Library Screening Center",
+ "UPCMLD",
+ "Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters",
+ "Vanderbilt Specialized Chemistry Center",
+ "Vanderbilt University Medical Center",
+ "VIT University",
+ "Watec Laboratories",
+ "Watson International Ltd",
+ "xPharm",
+ "Zancheng Functional Chemicals",
+ "zealing chemical"
+ ]
+ recorded_at: 2023-08-03 19:57:54 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
diff --git a/tests/fixtures/fn_percept.yml b/tests/fixtures/fn_percept.yml
new file mode 100644
index 00000000..5ad953ca
--- /dev/null
+++ b/tests/fixtures/fn_percept.yml
@@ -0,0 +1,561 @@
+http_interactions:
+- request:
+ method: get
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+ body:
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+ headers:
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+ Content-Type: ''
+ response:
+ status:
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+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ date: Fri, 04 Aug 2023 17:36:27 GMT
+ server: Apache
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+ accept-ranges: bytes
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+ string: "\n \n\n\n\tvanillin
+ \ 121-33-5 \n\n \n\nvanillin
\n4-hydroxy-3-methoxybenzaldehyde
\n![\"121-33-5\"](\"../gif/121-33-5.gif\")
\n\nCAS 121-33-5 - MW
+ 152.0
\n\n
+ \n\n | OV101 | DB5 | OV1701 | C20M |
\n| Kovats RI | 1345 | 1410 | 1635 | 2569 |
| Ethyl ester RI | 965 | 1011 | 1170 | 1901 |
| |
\n
\nPercepts:
+ vanilla
\n\nNotes: Ferreira2001-DBWax=
+ 2585Aznar(2001)DBWax= 2581Ong1999-HPWax= 2591
\nReferences:
\nOV101 Ong,
+ P. and T. E. Acree (1999). J. of Agric. and Food Chem. 47(2): 665-670. [HP-1].
\nDB5 Valim,
+ M. F., R. L. Rouseff, et al. (2003). J. Agric. Food Chem. 51(4): 1010-1015.Blank,
+ Fischer & Grosch 1989, Z Lebensm Unters Forsch, 189, 426-433. [SE-54].Rychlik,
+ Schieberle & Grosch Compilation of Odor Thresholds, Odor Qualities and
+ Retention Indices of Key Food Odorants, Lichtenbergstraße, Germany,
+ 1998. [SE-54].
\nOV1701 Blank, Fischer & Grosch 1989,
+ Z Lebensm Unters Forsch, 189, 426-433. Rychlik, Schieberle & Grosch Compilation
+ of Odor Thresholds, Odor Qualities and Retention Indices of Key Food Odorants,
+ Lichtenbergstraße, Germany, 1998.
\nC20M Rychlik,
+ Schieberle & Grosch Compilation of Odor Thresholds, Odor Qualities and
+ Retention Indices of Key Food Odorants, Lichtenbergstraße, Germany,
+ 1998. [FFAP]
\nSource: Flavornet by Terry Acree
+ & Heinrich Arn
http://www.flavornet.org
© Datu Inc., 2004 \n
\n\n\n"
+ recorded_at: 2023-08-04 17:36:29 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: get
+ uri: http://www.flavornet.org/info/123-32-0.html
+ body:
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+ Content-Type: ''
+ response:
+ status:
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+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
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+ server: Apache
+ last-modified: Tue, 19 Nov 2019 10:51:28 GMT
+ accept-ranges: bytes
+ content-length: '3006'
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+ body:
+ encoding: ''
+ file: no
+ string: "\n \n\n\n\tdimethyl
+ pyrazine 123-32-0 \n\n \n\ndimethyl pyrazine
\n2,5-dimethyl pyrazine,
+ 2,5-dimethyl -1,4-diazine
\n![\"123-32-0\"](\"../gif/123-32-0.gif\")
+ \n\nCAS
+ 123-32-0 - MW 108.14
\n\n
+ \n\n | OV101 | DB5 | OV1701 | C20M |
\n| Kovats RI | 888 | [905] | [996] | [1253] |
| Ethyl ester RI | 504 | [501] | [532] | [624] |
| [interpolated] |
\n
\nPercepts:
+ cocoa, roasted nut, roast beef, medicine
\n\n\nReferences:
\nOV101 Yong,
+ Acree, Lavin & Butts 1989; Thermal generation of aroma, American Chemistry
+ Society, 26, 276-283
\nDB5
\nOV1701
\nC20M
\nSource: Flavornet by Terry Acree & Heinrich Arn
http://www.flavornet.org
©
+ Datu Inc., 2004 \n
\n\n\n"
+ recorded_at: 2023-08-04 17:36:29 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
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+ reason: OK
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+ headers:
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+ accept-ranges: bytes
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+ body:
+ encoding: ''
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+ \ 121-33-5 \n\n \n\nvanillin
\n4-hydroxy-3-methoxybenzaldehyde
\n \n\nCAS 121-33-5 - MW
+ 152.0
\n\n
+ \n\n | OV101 | DB5 | OV1701 | C20M |
\n| Kovats RI | 1345 | 1410 | 1635 | 2569 |
| Ethyl ester RI | 965 | 1011 | 1170 | 1901 |
| |
\n
\nPercepts:
+ vanilla
\n\nNotes: Ferreira2001-DBWax=
+ 2585Aznar(2001)DBWax= 2581Ong1999-HPWax= 2591
\nReferences:
\nOV101 Ong,
+ P. and T. E. Acree (1999). J. of Agric. and Food Chem. 47(2): 665-670. [HP-1].
\nDB5 Valim,
+ M. F., R. L. Rouseff, et al. (2003). J. Agric. Food Chem. 51(4): 1010-1015.Blank,
+ Fischer & Grosch 1989, Z Lebensm Unters Forsch, 189, 426-433. [SE-54].Rychlik,
+ Schieberle & Grosch Compilation of Odor Thresholds, Odor Qualities and
+ Retention Indices of Key Food Odorants, Lichtenbergstraße, Germany,
+ 1998. [SE-54].
\nOV1701 Blank, Fischer & Grosch 1989,
+ Z Lebensm Unters Forsch, 189, 426-433. Rychlik, Schieberle & Grosch Compilation
+ of Odor Thresholds, Odor Qualities and Retention Indices of Key Food Odorants,
+ Lichtenbergstraße, Germany, 1998.
\nC20M Rychlik,
+ Schieberle & Grosch Compilation of Odor Thresholds, Odor Qualities and
+ Retention Indices of Key Food Odorants, Lichtenbergstraße, Germany,
+ 1998. [FFAP]
\nSource: Flavornet by Terry Acree
+ & Heinrich Arn
http://www.flavornet.org
© Datu Inc., 2004 \n
\n\n\n"
+ recorded_at: 2023-08-04 17:36:29 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: get
+ uri: http://www.flavornet.org/info/75-07-0.html
+ body:
+ encoding: ''
+ string: ''
+ headers:
+ Accept: application/json, text/xml, application/xml, */*
+ Content-Type: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ date: Fri, 04 Aug 2023 17:36:28 GMT
+ server: Apache
+ last-modified: Tue, 19 Nov 2019 10:51:50 GMT
+ accept-ranges: bytes
+ content-length: '3065'
+ content-type: text/html
+ body:
+ encoding: ''
+ file: no
+ string: "\n \n\n\n\tethanal
+ \ 75-07-0 \n\n \n\nethanal
\nacetaldehyde
\n![\"75-07-0\"](\"../gif/75-07-0.gif\")
\n\nCAS 75-07-0 - MW 44.0
\n\n
+ \n\n | OV101 | DB5 | OV1701 | C20M |
\n| Kovats RI | 418 | 427 | [518] | 714 |
| Ethyl ester RI | 29 | 23 | | 95 |
| [interpolated] |
\n
\nPercepts:
+ pungent, ether
\n\n\nReferences:
\nOV101 Chung,
+ Eiserich & Shibamoto 1993; J. Agric. Food Chem., 41, 1693-1697. [HP101].
\nDB5 Jirovetz,
+ L., G. Buchbauer, et al. (2002). Journal of Chromatography A 976(1-2): 265-275.
+ [RSL200].
\nOV1701
\nC20M Chung, Eiserich
+ & Shibamoto 1993; J. Agric. Food Chem., 41, 1693-1697. [HP20M].
\nSource: Flavornet by Terry Acree & Heinrich Arn
http://www.flavornet.org
©
+ Datu Inc., 2004 \n
\n\n\n"
+ recorded_at: 2023-08-04 17:36:30 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: get
+ uri: http://www.flavornet.org/info/123-32-0.html
+ body:
+ encoding: ''
+ string: ''
+ headers:
+ Accept: application/json, text/xml, application/xml, */*
+ Content-Type: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ date: Fri, 04 Aug 2023 17:36:28 GMT
+ server: Apache
+ last-modified: Tue, 19 Nov 2019 10:51:28 GMT
+ accept-ranges: bytes
+ content-length: '3006'
+ content-type: text/html
+ body:
+ encoding: ''
+ file: no
+ string: "\n \n\n\n\tdimethyl
+ pyrazine 123-32-0 \n\n \n\ndimethyl pyrazine
\n2,5-dimethyl pyrazine,
+ 2,5-dimethyl -1,4-diazine
\n
+ \n\nCAS
+ 123-32-0 - MW 108.14
\n\n
+ \n\n | OV101 | DB5 | OV1701 | C20M |
\n| Kovats RI | 888 | [905] | [996] | [1253] |
| Ethyl ester RI | 504 | [501] | [532] | [624] |
| [interpolated] |
\n
\nPercepts:
+ cocoa, roasted nut, roast beef, medicine
\n\n\nReferences:
\nOV101 Yong,
+ Acree, Lavin & Butts 1989; Thermal generation of aroma, American Chemistry
+ Society, 26, 276-283
\nDB5
\nOV1701
\nC20M
\nSource: Flavornet by Terry Acree & Heinrich Arn
http://www.flavornet.org
©
+ Datu Inc., 2004 \n
\n\n\n"
+ recorded_at: 2023-08-04 17:36:30 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: get
+ uri: http://www.flavornet.org/info/121-33-5.html
+ body:
+ encoding: ''
+ string: ''
+ headers:
+ Accept: application/json, text/xml, application/xml, */*
+ Content-Type: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ date: Fri, 04 Aug 2023 17:36:29 GMT
+ server: Apache
+ last-modified: Tue, 19 Nov 2019 10:51:28 GMT
+ accept-ranges: bytes
+ content-length: '3722'
+ content-type: text/html
+ body:
+ encoding: ''
+ file: no
+ string: "\n \n\n\n\tvanillin
+ \ 121-33-5 \n\n \n\nvanillin
\n4-hydroxy-3-methoxybenzaldehyde
\n \n\nCAS 121-33-5 - MW
+ 152.0
\n\n
+ \n\n | OV101 | DB5 | OV1701 | C20M |
\n| Kovats RI | 1345 | 1410 | 1635 | 2569 |
| Ethyl ester RI | 965 | 1011 | 1170 | 1901 |
| |
\n
\nPercepts:
+ vanilla
\n\nNotes: Ferreira2001-DBWax=
+ 2585Aznar(2001)DBWax= 2581Ong1999-HPWax= 2591
\nReferences:
\nOV101 Ong,
+ P. and T. E. Acree (1999). J. of Agric. and Food Chem. 47(2): 665-670. [HP-1].
\nDB5 Valim,
+ M. F., R. L. Rouseff, et al. (2003). J. Agric. Food Chem. 51(4): 1010-1015.Blank,
+ Fischer & Grosch 1989, Z Lebensm Unters Forsch, 189, 426-433. [SE-54].Rychlik,
+ Schieberle & Grosch Compilation of Odor Thresholds, Odor Qualities and
+ Retention Indices of Key Food Odorants, Lichtenbergstraße, Germany,
+ 1998. [SE-54].
\nOV1701 Blank, Fischer & Grosch 1989,
+ Z Lebensm Unters Forsch, 189, 426-433. Rychlik, Schieberle & Grosch Compilation
+ of Odor Thresholds, Odor Qualities and Retention Indices of Key Food Odorants,
+ Lichtenbergstraße, Germany, 1998.
\nC20M Rychlik,
+ Schieberle & Grosch Compilation of Odor Thresholds, Odor Qualities and
+ Retention Indices of Key Food Odorants, Lichtenbergstraße, Germany,
+ 1998. [FFAP]
\nSource: Flavornet by Terry Acree
+ & Heinrich Arn
http://www.flavornet.org
© Datu Inc., 2004 \n
\n\n\n"
+ recorded_at: 2023-08-04 17:36:30 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: get
+ uri: http://www.flavornet.org/info/75-07-0.html
+ body:
+ encoding: ''
+ string: ''
+ headers:
+ Accept: application/json, text/xml, application/xml, */*
+ Content-Type: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ date: Fri, 04 Aug 2023 17:36:29 GMT
+ server: Apache
+ last-modified: Tue, 19 Nov 2019 10:51:50 GMT
+ accept-ranges: bytes
+ content-length: '3065'
+ content-type: text/html
+ body:
+ encoding: ''
+ file: no
+ string: "\n \n\n\n\tethanal
+ \ 75-07-0 \n\n \n\nethanal
\nacetaldehyde
\n \n\nCAS 75-07-0 - MW 44.0
\n\n
+ \n\n | OV101 | DB5 | OV1701 | C20M |
\n| Kovats RI | 418 | 427 | [518] | 714 |
| Ethyl ester RI | 29 | 23 | | 95 |
| [interpolated] |
\n
\nPercepts:
+ pungent, ether
\n\n\nReferences:
\nOV101 Chung,
+ Eiserich & Shibamoto 1993; J. Agric. Food Chem., 41, 1693-1697. [HP101].
\nDB5 Jirovetz,
+ L., G. Buchbauer, et al. (2002). Journal of Chromatography A 976(1-2): 265-275.
+ [RSL200].
\nOV1701
\nC20M Chung, Eiserich
+ & Shibamoto 1993; J. Agric. Food Chem., 41, 1693-1697. [HP20M].
\nSource: Flavornet by Terry Acree & Heinrich Arn
http://www.flavornet.org
©
+ Datu Inc., 2004 \n
\n\n\n"
+ recorded_at: 2023-08-04 17:36:30 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: get
+ uri: http://www.flavornet.org/info/123-32-0.html
+ body:
+ encoding: ''
+ string: ''
+ headers:
+ Accept: application/json, text/xml, application/xml, */*
+ Content-Type: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ date: Fri, 04 Aug 2023 17:36:29 GMT
+ server: Apache
+ last-modified: Tue, 19 Nov 2019 10:51:28 GMT
+ accept-ranges: bytes
+ content-length: '3006'
+ content-type: text/html
+ body:
+ encoding: ''
+ file: no
+ string: "\n \n\n\n\tdimethyl
+ pyrazine 123-32-0 \n\n \n\ndimethyl pyrazine
\n2,5-dimethyl pyrazine,
+ 2,5-dimethyl -1,4-diazine
\n
+ \n\nCAS
+ 123-32-0 - MW 108.14
\n\n
+ \n\n | OV101 | DB5 | OV1701 | C20M |
\n| Kovats RI | 888 | [905] | [996] | [1253] |
| Ethyl ester RI | 504 | [501] | [532] | [624] |
| [interpolated] |
\n
\nPercepts:
+ cocoa, roasted nut, roast beef, medicine
\n\n\nReferences:
\nOV101 Yong,
+ Acree, Lavin & Butts 1989; Thermal generation of aroma, American Chemistry
+ Society, 26, 276-283
\nDB5
\nOV1701
\nC20M
\nSource: Flavornet by Terry Acree & Heinrich Arn
http://www.flavornet.org
©
+ Datu Inc., 2004 \n
\n\n\n"
+ recorded_at: 2023-08-04 17:36:30 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
+- request:
+ method: get
+ uri: http://www.flavornet.org/info/50-00-0.html
+ body:
+ encoding: ''
+ string: ''
+ headers:
+ Accept: application/json, text/xml, application/xml, */*
+ Content-Type: ''
+ response:
+ status:
+ status_code: 404
+ category: Client error
+ reason: Not Found
+ message: 'Client error: (404) Not Found'
+ headers:
+ date: Fri, 04 Aug 2023 17:36:30 GMT
+ server: Apache
+ content-length: '315'
+ content-type: text/html; charset=iso-8859-1
+ body:
+ encoding: ''
+ file: no
+ string: |
+
+
+ 404 Not Found
+
+ Not Found
+ The requested URL was not found on this server.
+ Additionally, a 404 Not Found
+ error was encountered while trying to use an ErrorDocument to handle the request.
+
+ recorded_at: 2023-08-04 17:36:30 GMT
+ recorded_with: vcr/1.2.0, webmockr/0.9.0
diff --git a/tests/fixtures/opsin_query.yml b/tests/fixtures/opsin_query.yml
new file mode 100644
index 00000000..41b44f71
--- /dev/null
+++ b/tests/fixtures/opsin_query.yml
@@ -0,0 +1,371 @@
+http_interactions:
+- request:
+ method: get
+ uri: https://opsin.ch.cam.ac.uk/opsin/cyclopropane.json
+ body:
+ encoding: ''
+ string: ''
+ headers:
+ Accept: application/json, text/xml, application/xml, */*
+ Content-Type: ''
+ response:
+ status:
+ status_code: 200
+ category: Success
+ reason: OK
+ message: 'Success: (200) OK'
+ headers:
+ date: Fri, 04 Aug 2023 17:40:37 GMT
+ server: Restlet-Framework/2.4.3
+ content-type: application/json;charset=utf-8
+ accept-ranges: bytes
+ vary: Accept-Charset,Accept-Encoding,Accept-Language,Accept
+ content-length: '1773'
+ x-frame-options: sameorigin
+ body:
+ encoding: ''
+ file: no
+ string: '{"status":"SUCCESS","message":"","cml":"\n\n \n cyclopropane<\/name>\n \n \n