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Merge branch 'master' into feature/msquality
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mobiusklein authored Aug 11, 2023
2 parents ac7c392 + 24305cb commit ff3074f
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44 changes: 0 additions & 44 deletions .github/workflows/merge-queue.yml

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64 changes: 0 additions & 64 deletions .github/workflows/tag-pr.yml

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63 changes: 63 additions & 0 deletions .github/workflows/update-owl.yaml
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name: "Update OWL"

on:
push:
branches: [master]

jobs:
generate-owl:
if: "! contains(github.event.head_commit.message, 'Update OWL file')"
runs-on: ubuntu-latest
permissions:
contents: write
pull-requests: write
steps:
- name: Checkout Repository
uses: actions/checkout@v3
- name: Extract version from OBO
run: |
CV_VERSION=`grep data-version psi-ms.obo | grep -oP "(\d+.\d+.\d+)"`
echo CV_VERSION=${CV_VERSION}
echo "CV_VERSION=${CV_VERSION}" >> $GITHUB_ENV
- name: Generate OWL
run: |
docker pull obolibrary/robot:v1.8.1
# Replace the imports of the UO and PATO ontology .obo files with the equivalent .owl files
cp psi-ms.obo tmp.obo
sed -e "s/pato.obo/pato.owl/g" -e "s/uo.obo/uo.owl/g" -i tmp.obo
head -n 50 tmp.obo
export JAVA_TOOL_OPTIONS=-Xmx6G
docker run --rm -v ${{ github.workspace }}:/work obolibrary/robot:v1.8.1 robot convert -vvv -i /work/tmp.obo -o /work/psi-ms.owl --format owl
rm tmp.obo
- name: Create pull request
id: cpr
uses: peter-evans/create-pull-request@v4
with:
token: ${{ secrets.PSI_MS_CV_GITHUB_TOKEN }}
commit-message: Update OWL file
committer: GitHub <[email protected]>
author: GitHub <[email protected]>
branch: update-owl-file
delete-branch: true
title: Update OWL file
body: This automated PR updates the OWL file corresponding to the OBO file
- name: Approve pull request
if: (steps.cpr.outputs.pull-request-operation == 'created' || steps.cpr.outputs.pull-request-operation == 'updated')
uses: juliangruber/approve-pull-request-action@v1
with:
github-token: ${{ secrets.GITHUB_TOKEN }}
number: ${{ steps.cpr.outputs.pull-request-number }}
- name: Merge pull request
if: (steps.cpr.outputs.pull-request-operation == 'created' || steps.cpr.outputs.pull-request-operation == 'updated')
uses: peter-evans/enable-pull-request-automerge@v2
with:
token: ${{ secrets.PSI_MS_CV_GITHUB_TOKEN }}
pull-request-number: ${{ steps.cpr.outputs.pull-request-number }}
merge-method: squash
- name: GitHub Tag
id: new_tag
uses: mathieudutour/[email protected]
with:
github_token: ${{ secrets.PSI_MS_CV_GITHUB_TOKEN }}
pre_release_branches: test-tag
custom_tag: ${{ env.CV_VERSION }}
28 changes: 28 additions & 0 deletions psi-ms.obo
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Expand Up @@ -22350,6 +22350,34 @@ name: mzTab-M
def: "Expanded tabular result format for metabolomics experiments reporting quantitative summary data, MS features and identification evidence." [PMID:30688441, PMID:31525911, https://www.psidev.info/mztab]
is_a: MS:1000914 ! tab delimited text format

[Term]
id: MS:1003390
name: crosslinker cleavage characteristics
def: "Signifies that the crosslinker is cleavable and on cleavage can leave a given stub. The pattern specifies three slots <name>:<mass>:<pairs with>." [PSI:PI]
is_a: MS:1001471 ! peptide modification details
relationship: has_regexp MS:1003391 ! crosslinker cleavage regular expression
relationship: has_value_type xsd:string ! The allowed value-type for this CV term

[Term]
id: MS:1003391
name: crosslinker cleavage regular expression
def: "^(?<NAME>[A-Za-z]):(?<MASS>[+-]?[0-9]+(\.[0-9]+)?([eE][+-]?[0-9]+(\.[0-9]+)?)?):(?<PAIRS_WITH>[A-Za-z]+)$" [PSI:PI]
is_a: MS:1002479 ! regular expression

[Term]
id: MS:1003392
name: search modification id
def: "A unique identifier within an in mzIdentML document denoting a search modification rule. The same modification may be present multiple times with different id values to reflect different specificities or neutral losses." [PSI:PI]
is_a: MS:1001471 ! peptide modification details
relationship: has_value_type xsd:string ! The allowed value-type for this CV term

[Term]
id: MS:1003393
name: search modification id ref
def: "A reference to a `search modification id` in the current mzIdentML document that defines the properties of this modification instance." [PSI:PI]
is_a: MS:1001471 ! peptide modification details
relationship: has_value_type xsd:string ! The allowed value-type for this CV term

[Term]
id: MS:4000000
name: PSI-MS CV Quality Control Vocabulary
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98 changes: 97 additions & 1 deletion psi-ms.owl
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Expand Up @@ -34,7 +34,7 @@
xmlns:ncbitaxon="http://purl.obolibrary.org/obo/ncbitaxon#"
xmlns:caloha-reqs-vetted="http://purl.obolibrary.org/obo/caloha-reqs-vetted#">
<owl:Ontology rdf:about="http://purl.obolibrary.org/obo/ms.owl">
<owl:versionIRI rdf:resource="http://purl.obolibrary.org/obo/ms/4.1.129/ms.owl"/>
<owl:versionIRI rdf:resource="http://purl.obolibrary.org/obo/ms/4.1.130/ms.owl"/>
<owl:imports rdf:resource="http://purl.obolibrary.org/obo/pato.owl"/>
<owl:imports rdf:resource="http://purl.obolibrary.org/obo/stato.owl"/>
<oboInOwl:NamespaceIdRule rdf:datatype="http://www.w3.org/2001/XMLSchema#string">* MS:$sequence(7,0,9999999)$</oboInOwl:NamespaceIdRule>
Expand Down Expand Up @@ -70535,6 +70535,102 @@



<!-- http://purl.obolibrary.org/obo/MS_1003390 -->

<owl:Class rdf:about="http://purl.obolibrary.org/obo/MS_1003390">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/MS_1001471"/>
<rdfs:subClassOf>
<owl:Restriction>
<owl:onProperty rdf:resource="http://purl.obolibrary.org/obo/ms#has_regexp"/>
<owl:someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/MS_1003391"/>
</owl:Restriction>
</rdfs:subClassOf>
<rdfs:subClassOf>
<owl:Restriction>
<owl:onProperty rdf:resource="http://purl.obolibrary.org/obo/ms#has_value_type"/>
<owl:someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/xsd_string"/>
</owl:Restriction>
</rdfs:subClassOf>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Signifies that the crosslinker is cleavable and on cleavage can leave a given stub. The pattern specifies three slots &lt;name&gt;:&lt;mass&gt;:&lt;pairs with&gt;.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MS</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MS:1003390</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">crosslinker cleavage characteristics</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://purl.obolibrary.org/obo/MS_1003390"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Signifies that the crosslinker is cleavable and on cleavage can leave a given stub. The pattern specifies three slots &lt;name&gt;:&lt;mass&gt;:&lt;pairs with&gt;.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">PSI:PI</oboInOwl:hasDbXref>
</owl:Axiom>



<!-- http://purl.obolibrary.org/obo/MS_1003391 -->

<owl:Class rdf:about="http://purl.obolibrary.org/obo/MS_1003391">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/MS_1002479"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">^(?&lt;NAME&gt;[A-Za-z]):(?&lt;MASS&gt;[+-]?[0-9]+(.[0-9]+)?([eE][+-]?[0-9]+(.[0-9]+)?)?):(?&lt;PAIRS_WITH&gt;[A-Za-z]+)$</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MS</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MS:1003391</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">crosslinker cleavage regular expression</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://purl.obolibrary.org/obo/MS_1003391"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">^(?&lt;NAME&gt;[A-Za-z]):(?&lt;MASS&gt;[+-]?[0-9]+(.[0-9]+)?([eE][+-]?[0-9]+(.[0-9]+)?)?):(?&lt;PAIRS_WITH&gt;[A-Za-z]+)$</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">PSI:PI</oboInOwl:hasDbXref>
</owl:Axiom>



<!-- http://purl.obolibrary.org/obo/MS_1003392 -->

<owl:Class rdf:about="http://purl.obolibrary.org/obo/MS_1003392">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/MS_1001471"/>
<rdfs:subClassOf>
<owl:Restriction>
<owl:onProperty rdf:resource="http://purl.obolibrary.org/obo/ms#has_value_type"/>
<owl:someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/xsd_string"/>
</owl:Restriction>
</rdfs:subClassOf>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A unique identifier within an in mzIdentML document denoting a search modification rule. The same modification may be present multiple times with different id values to reflect different specificities or neutral losses.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MS</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MS:1003392</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">search modification id</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://purl.obolibrary.org/obo/MS_1003392"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A unique identifier within an in mzIdentML document denoting a search modification rule. The same modification may be present multiple times with different id values to reflect different specificities or neutral losses.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">PSI:PI</oboInOwl:hasDbXref>
</owl:Axiom>



<!-- http://purl.obolibrary.org/obo/MS_1003393 -->

<owl:Class rdf:about="http://purl.obolibrary.org/obo/MS_1003393">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/MS_1001471"/>
<rdfs:subClassOf>
<owl:Restriction>
<owl:onProperty rdf:resource="http://purl.obolibrary.org/obo/ms#has_value_type"/>
<owl:someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/xsd_string"/>
</owl:Restriction>
</rdfs:subClassOf>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A reference to a `search modification id` in the current mzIdentML document that defines the properties of this modification instance.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MS</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MS:1003393</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">search modification id ref</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://purl.obolibrary.org/obo/MS_1003393"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A reference to a `search modification id` in the current mzIdentML document that defines the properties of this modification instance.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">PSI:PI</oboInOwl:hasDbXref>
</owl:Axiom>



<!-- http://purl.obolibrary.org/obo/MS_4000000 -->

<owl:Class rdf:about="http://purl.obolibrary.org/obo/MS_4000000">
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