pyobo 0.10.12__py3-none-any.whl → 0.11.0__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- pyobo/__init__.py +0 -2
- pyobo/__main__.py +0 -2
- pyobo/api/__init__.py +0 -2
- pyobo/api/alts.py +6 -7
- pyobo/api/hierarchy.py +14 -15
- pyobo/api/metadata.py +3 -4
- pyobo/api/names.py +31 -32
- pyobo/api/properties.py +6 -7
- pyobo/api/relations.py +12 -11
- pyobo/api/species.py +5 -6
- pyobo/api/typedefs.py +1 -3
- pyobo/api/utils.py +61 -5
- pyobo/api/xrefs.py +4 -5
- pyobo/aws.py +3 -5
- pyobo/cli/__init__.py +0 -2
- pyobo/cli/aws.py +0 -2
- pyobo/cli/cli.py +0 -4
- pyobo/cli/database.py +1 -3
- pyobo/cli/lookup.py +0 -2
- pyobo/cli/utils.py +0 -2
- pyobo/constants.py +0 -33
- pyobo/getters.py +19 -26
- pyobo/gilda_utils.py +9 -10
- pyobo/identifier_utils.py +10 -10
- pyobo/mocks.py +5 -6
- pyobo/normalizer.py +24 -24
- pyobo/obographs.py +3 -3
- pyobo/plugins.py +3 -4
- pyobo/py.typed +0 -0
- pyobo/reader.py +19 -21
- pyobo/registries/__init__.py +0 -2
- pyobo/registries/metaregistry.py +6 -8
- pyobo/resource_utils.py +1 -3
- pyobo/resources/__init__.py +0 -2
- pyobo/resources/ncbitaxon.py +2 -3
- pyobo/resources/ro.py +2 -4
- pyobo/sources/README.md +15 -0
- pyobo/sources/__init__.py +0 -2
- pyobo/sources/agrovoc.py +3 -3
- pyobo/sources/antibodyregistry.py +2 -3
- pyobo/sources/biogrid.py +4 -4
- pyobo/sources/ccle.py +3 -4
- pyobo/sources/cgnc.py +1 -3
- pyobo/sources/chebi.py +2 -4
- pyobo/sources/chembl.py +1 -3
- pyobo/sources/civic_gene.py +2 -3
- pyobo/sources/complexportal.py +3 -5
- pyobo/sources/conso.py +2 -4
- pyobo/sources/cpt.py +1 -3
- pyobo/sources/credit.py +1 -1
- pyobo/sources/cvx.py +1 -3
- pyobo/sources/depmap.py +3 -4
- pyobo/sources/dictybase_gene.py +1 -3
- pyobo/sources/drugbank.py +6 -7
- pyobo/sources/drugbank_salt.py +3 -4
- pyobo/sources/drugcentral.py +5 -7
- pyobo/sources/expasy.py +11 -12
- pyobo/sources/famplex.py +3 -5
- pyobo/sources/flybase.py +2 -4
- pyobo/sources/geonames.py +1 -1
- pyobo/sources/gmt_utils.py +5 -6
- pyobo/sources/go.py +4 -6
- pyobo/sources/gwascentral_phenotype.py +1 -3
- pyobo/sources/gwascentral_study.py +2 -3
- pyobo/sources/hgnc.py +6 -7
- pyobo/sources/hgncgenefamily.py +2 -4
- pyobo/sources/icd10.py +3 -4
- pyobo/sources/icd11.py +3 -4
- pyobo/sources/icd_utils.py +6 -7
- pyobo/sources/interpro.py +3 -5
- pyobo/sources/itis.py +1 -3
- pyobo/sources/kegg/__init__.py +0 -2
- pyobo/sources/kegg/api.py +3 -4
- pyobo/sources/kegg/genes.py +3 -4
- pyobo/sources/kegg/genome.py +1 -3
- pyobo/sources/kegg/pathway.py +5 -6
- pyobo/sources/mesh.py +19 -21
- pyobo/sources/mgi.py +1 -3
- pyobo/sources/mirbase.py +4 -6
- pyobo/sources/mirbase_constants.py +0 -2
- pyobo/sources/mirbase_family.py +1 -3
- pyobo/sources/mirbase_mature.py +1 -3
- pyobo/sources/msigdb.py +4 -5
- pyobo/sources/ncbigene.py +3 -5
- pyobo/sources/npass.py +1 -3
- pyobo/sources/omim_ps.py +1 -3
- pyobo/sources/pathbank.py +3 -5
- pyobo/sources/pfam.py +1 -3
- pyobo/sources/pfam_clan.py +1 -3
- pyobo/sources/pid.py +3 -5
- pyobo/sources/pombase.py +1 -3
- pyobo/sources/pubchem.py +2 -3
- pyobo/sources/reactome.py +2 -4
- pyobo/sources/rgd.py +2 -3
- pyobo/sources/rhea.py +7 -8
- pyobo/sources/ror.py +3 -2
- pyobo/sources/selventa/__init__.py +0 -2
- pyobo/sources/selventa/schem.py +1 -3
- pyobo/sources/selventa/scomp.py +1 -3
- pyobo/sources/selventa/sdis.py +1 -3
- pyobo/sources/selventa/sfam.py +1 -3
- pyobo/sources/sgd.py +1 -3
- pyobo/sources/slm.py +1 -3
- pyobo/sources/umls/__init__.py +0 -2
- pyobo/sources/umls/__main__.py +0 -2
- pyobo/sources/umls/get_synonym_types.py +1 -1
- pyobo/sources/umls/umls.py +2 -4
- pyobo/sources/uniprot/__init__.py +0 -2
- pyobo/sources/uniprot/uniprot.py +4 -4
- pyobo/sources/uniprot/uniprot_ptm.py +6 -5
- pyobo/sources/utils.py +3 -5
- pyobo/sources/wikipathways.py +1 -3
- pyobo/sources/zfin.py +2 -3
- pyobo/ssg/__init__.py +3 -2
- pyobo/struct/__init__.py +0 -2
- pyobo/struct/reference.py +13 -15
- pyobo/struct/struct.py +102 -96
- pyobo/struct/typedef.py +9 -10
- pyobo/struct/utils.py +0 -2
- pyobo/utils/__init__.py +0 -2
- pyobo/utils/cache.py +14 -6
- pyobo/utils/io.py +9 -10
- pyobo/utils/iter.py +5 -6
- pyobo/utils/misc.py +1 -3
- pyobo/utils/ndex_utils.py +6 -7
- pyobo/utils/path.py +4 -5
- pyobo/version.py +3 -5
- pyobo/xrefdb/__init__.py +0 -2
- pyobo/xrefdb/canonicalizer.py +27 -18
- pyobo/xrefdb/priority.py +0 -2
- pyobo/xrefdb/sources/__init__.py +3 -4
- pyobo/xrefdb/sources/biomappings.py +0 -2
- pyobo/xrefdb/sources/cbms2019.py +0 -2
- pyobo/xrefdb/sources/chembl.py +0 -2
- pyobo/xrefdb/sources/compath.py +1 -3
- pyobo/xrefdb/sources/famplex.py +3 -5
- pyobo/xrefdb/sources/gilda.py +0 -2
- pyobo/xrefdb/sources/intact.py +5 -5
- pyobo/xrefdb/sources/ncit.py +1 -3
- pyobo/xrefdb/sources/pubchem.py +2 -5
- pyobo/xrefdb/sources/wikidata.py +2 -4
- pyobo/xrefdb/xrefs_pipeline.py +15 -16
- {pyobo-0.10.12.dist-info → pyobo-0.11.0.dist-info}/LICENSE +1 -1
- pyobo-0.11.0.dist-info/METADATA +723 -0
- pyobo-0.11.0.dist-info/RECORD +171 -0
- {pyobo-0.10.12.dist-info → pyobo-0.11.0.dist-info}/WHEEL +1 -1
- pyobo-0.11.0.dist-info/entry_points.txt +2 -0
- pyobo-0.10.12.dist-info/METADATA +0 -499
- pyobo-0.10.12.dist-info/RECORD +0 -169
- pyobo-0.10.12.dist-info/entry_points.txt +0 -15
- {pyobo-0.10.12.dist-info → pyobo-0.11.0.dist-info}/top_level.txt +0 -0
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Metadata-Version: 2.1
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Name: pyobo
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Version: 0.11.0
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Summary: A python package for handling and generating OBO
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Author-email: Charles Tapley Hoyt <cthoyt@gmail.com>
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Maintainer-email: Charles Tapley Hoyt <cthoyt@gmail.com>
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License: MIT License
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Copyright (c) 2024 Charles Tapley Hoyt
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Permission is hereby granted, free of charge, to any person obtaining a copy
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of this software and associated documentation files (the "Software"), to deal
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in the Software without restriction, including without limitation the rights
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to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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copies of the Software, and to permit persons to whom the Software is
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furnished to do so, subject to the following conditions:
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The above copyright notice and this permission notice shall be included in all
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copies or substantial portions of the Software.
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THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
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LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
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SOFTWARE.
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Project-URL: Bug Tracker, https://github.com/biopragmatics/pyobo/issues
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Project-URL: Homepage, https://github.com/biopragmatics/pyobo
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Project-URL: Repository, https://github.com/biopragmatics/pyobo.git
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Project-URL: Documentation, https://pyobo.readthedocs.io
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Keywords: snekpack,cookiecutter,ontologies,biomedical ontologies,life sciences,natural sciences,bioinformatics,cheminformatics,Open Biomedical Ontologies,OBO
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Classifier: Development Status :: 4 - Beta
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Classifier: Environment :: Console
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Classifier: Intended Audience :: Developers
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Classifier: License :: OSI Approved :: MIT License
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Classifier: Operating System :: OS Independent
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Classifier: Framework :: Pytest
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Classifier: Framework :: tox
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Classifier: Framework :: Sphinx
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Classifier: Programming Language :: Python
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Classifier: Programming Language :: Python :: 3.9
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Classifier: Programming Language :: Python :: 3.10
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Classifier: Programming Language :: Python :: 3.11
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Classifier: Programming Language :: Python :: 3.12
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Classifier: Programming Language :: Python :: 3 :: Only
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Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
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Classifier: Topic :: Scientific/Engineering :: Chemistry
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Requires-Python: >=3.9
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Description-Content-Type: text/markdown
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License-File: LICENSE
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Requires-Dist: obonet >=0.3.0
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Requires-Dist: bioversions >=0.5.514
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Requires-Dist: bioregistry >=0.10.20
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Requires-Dist: bioontologies >=0.4.0
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Provides-Extra: docs
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Provides-Extra: tests
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<!--
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<p align="center">
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<img src="https://github.com/biopragmatics/pyobo/raw/main/docs/source/logo.png" height="150">
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</p>
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-->
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<h1 align="center">
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PyOBO
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</h1>
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<p align="center">
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<a href="https://github.com/biopragmatics/pyobo/actions/workflows/tests.yml">
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<img alt="Tests" src="https://github.com/biopragmatics/pyobo/actions/workflows/tests.yml/badge.svg" /></a>
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<a href="https://pypi.org/project/pyobo">
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<img alt="PyPI" src="https://img.shields.io/pypi/v/pyobo" /></a>
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<a href="https://pypi.org/project/pyobo">
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<img alt="PyPI - Python Version" src="https://img.shields.io/pypi/pyversions/pyobo" /></a>
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<a href="https://github.com/biopragmatics/pyobo/blob/main/LICENSE">
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<img alt="PyPI - License" src="https://img.shields.io/pypi/l/pyobo" /></a>
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<a href='https://pyobo.readthedocs.io/en/latest/?badge=latest'>
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<img src='https://readthedocs.org/projects/pyobo/badge/?version=latest' alt='Documentation Status' /></a>
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<img src="https://codecov.io/gh/biopragmatics/pyobo/branch/main/graph/badge.svg" alt="Codecov status" /></a>
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<a href="https://github.com/cthoyt/cookiecutter-python-package">
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<img alt="Cookiecutter template from @cthoyt" src="https://img.shields.io/badge/Cookiecutter-snekpack-blue" /></a>
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<a href='https://github.com/psf/black'>
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<img src='https://img.shields.io/badge/code%20style-black-000000.svg' alt='Code style: black' /></a>
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<a href="https://github.com/biopragmatics/pyobo/blob/main/.github/CODE_OF_CONDUCT.md">
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<img src="https://img.shields.io/badge/Contributor%20Covenant-2.1-4baaaa.svg" alt="Contributor Covenant"/></a>
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</p>
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Tools for biological identifiers, names, synonyms, xrefs, hierarchies, relations, and properties through the
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perspective of OBO.
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## Example Usage
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Note! PyOBO is no-nonsense. This means that there's no repetitive
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prefixes in identifiers. It also means all identifiers are strings,
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no exceptions.
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Note! The first time you run these, they have to download and cache
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all resources. We're not in the business of redistributing data,
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so all scripts should be completely reproducible. There's some
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AWS tools for hosting/downloading pre-compiled versions in
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`pyobo.aws` if you don't have time for that.
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Note! PyOBO can perform grounding in a limited number of cases, but
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it is *not* a general solution for named entity recognition (NER) or grounding.
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It's suggested to check `Gilda <https://github.com/indralab/gilda>`_
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for a no-nonsense solution.
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### Mapping Identifiers and CURIEs
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Get mapping of ChEBI identifiers to names:
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```python
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import pyobo
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chebi_id_to_name = pyobo.get_id_name_mapping('chebi')
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name = chebi_id_to_name['132964']
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assert name == 'fluazifop-P-butyl'
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```
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Or, you don't have time for two lines:
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```python
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name = pyobo.get_name('chebi', '132964')
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assert name == 'fluazifop-P-butyl'
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```
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Get reverse mapping of ChEBI names to identifiers:
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```python
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chebi_name_to_id = pyobo.get_name_id_mapping('chebi')
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identifier = chebi_name_to_id['fluazifop-P-butyl']
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assert identifier == '132964'
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```
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`CHEBI:132964`:
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name = pyobo.get_name_by_curie('CHEBI:132964')
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assert name == 'fluazifop-P-butyl'
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```
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```python
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import pyobo
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# Look up DNA-binding transcription factor activity (go:0003700)
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primary_curie = pyobo.get_primary_curie('go:0001071')
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assert primary_curie == 'go:0003700'
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# If it's already the primary, it just gets returned
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assert 'go:0003700' == pyobo.get_priority_curie('go:0003700')
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```
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### Mapping Species
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+
|
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198
|
+
Some resources have species information for their term. Get a mapping of WikiPathway identifiers
|
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199
|
+
to species (as NCBI taxonomy identifiers):
|
|
200
|
+
|
|
201
|
+
```python
|
|
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|
+
import pyobo
|
|
203
|
+
|
|
204
|
+
wikipathways_id_to_species = pyobo.get_id_species_mapping('wikipathways')
|
|
205
|
+
|
|
206
|
+
# Apoptosis (Homo sapiens)
|
|
207
|
+
taxonomy_id = wikipathways_id_to_species['WP254']
|
|
208
|
+
assert taxonomy_id == '9606'
|
|
209
|
+
```
|
|
210
|
+
|
|
211
|
+
Or, you don't have time for two lines:
|
|
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|
+
|
|
213
|
+
```python
|
|
214
|
+
import pyobo
|
|
215
|
+
|
|
216
|
+
# Apoptosis (Homo sapiens)
|
|
217
|
+
taxonomy_id = pyobo.get_species('wikipathways', 'WP254')
|
|
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|
+
assert taxonomy_id == '9606'
|
|
219
|
+
```
|
|
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|
+
|
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221
|
+
### Grounding
|
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222
|
+
|
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223
|
+
Maybe you've got names/synonyms you want to try and map back to ChEBI synonyms.
|
|
224
|
+
Given the brand name `Fusilade II` of `CHEBI:132964`, it should be able to look
|
|
225
|
+
it up and its preferred label.
|
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226
|
+
|
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+
```python
|
|
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|
+
import pyobo
|
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229
|
+
|
|
230
|
+
prefix, identifier, name = pyobo.ground('chebi', 'Fusilade II')
|
|
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|
+
assert prefix == 'chebi'
|
|
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|
+
assert identifier == '132964'
|
|
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|
+
assert name == 'fluazifop-P-butyl'
|
|
234
|
+
|
|
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|
+
# When failure happens...
|
|
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|
+
prefix, identifier, name = pyobo.ground('chebi', 'Definitely not a real name')
|
|
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|
+
assert prefix is None
|
|
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|
+
assert identifier is None
|
|
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|
+
assert name is None
|
|
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|
+
```
|
|
241
|
+
|
|
242
|
+
If you're not really sure which namespace a name might belong to, you
|
|
243
|
+
can try a few in a row (prioritize by ones that cover the appropriate
|
|
244
|
+
entity type to avoid false positives in case of conflicts):
|
|
245
|
+
|
|
246
|
+
```python
|
|
247
|
+
import pyobo
|
|
248
|
+
|
|
249
|
+
# looking for phenotypes/pathways
|
|
250
|
+
prefix, identifier, name = pyobo.ground(['efo', 'go'], 'ERAD')
|
|
251
|
+
assert prefix == 'go'
|
|
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|
+
assert identifier == '0030433'
|
|
253
|
+
assert name == 'ubiquitin-dependent ERAD pathway'
|
|
254
|
+
```
|
|
255
|
+
|
|
256
|
+
### Cross-referencing
|
|
257
|
+
|
|
258
|
+
Get xrefs from ChEBI to PubChem:
|
|
259
|
+
|
|
260
|
+
```python
|
|
261
|
+
import pyobo
|
|
262
|
+
|
|
263
|
+
chebi_id_to_pubchem_compound_id = pyobo.get_filtered_xrefs('chebi', 'pubchem.compound')
|
|
264
|
+
|
|
265
|
+
pubchem_compound_id = chebi_id_to_pubchem_compound_id['132964']
|
|
266
|
+
assert pubchem_compound_id == '3033674'
|
|
267
|
+
```
|
|
268
|
+
|
|
269
|
+
If you don't have time for two lines:
|
|
270
|
+
|
|
271
|
+
```python
|
|
272
|
+
import pyobo
|
|
273
|
+
|
|
274
|
+
pubchem_compound_id = pyobo.get_xref('chebi', '132964', 'pubchem.compound')
|
|
275
|
+
assert pubchem_compound_id == '3033674'
|
|
276
|
+
```
|
|
277
|
+
|
|
278
|
+
Get xrefs from Entrez to HGNC, but they're only available through HGNC,
|
|
279
|
+
so you need to flip them:
|
|
280
|
+
|
|
281
|
+
```python
|
|
282
|
+
import pyobo
|
|
283
|
+
|
|
284
|
+
hgnc_id_to_ncbigene_id = pyobo.get_filtered_xrefs('hgnc', 'ncbigene')
|
|
285
|
+
ncbigene_id_to_hgnc_id = {
|
|
286
|
+
ncbigene_id: hgnc_id
|
|
287
|
+
for hgnc_id, ncbigene_id in hgnc_id_to_ncbigene_id.items()
|
|
288
|
+
}
|
|
289
|
+
mapt_hgnc = ncbigene_id_to_hgnc_id['4137']
|
|
290
|
+
assert mapt_hgnc == '6893'
|
|
291
|
+
```
|
|
292
|
+
|
|
293
|
+
Since this is a common pattern, there's a keyword argument `flip`
|
|
294
|
+
that does this for you:
|
|
295
|
+
|
|
296
|
+
```python
|
|
297
|
+
import pyobo
|
|
298
|
+
|
|
299
|
+
ncbigene_id_to_hgnc_id = pyobo.get_filtered_xrefs('hgnc', 'ncbigene', flip=True)
|
|
300
|
+
mapt_hgnc_id = ncbigene_id_to_hgnc_id['4137']
|
|
301
|
+
assert mapt_hgnc_id == '6893'
|
|
302
|
+
```
|
|
303
|
+
|
|
304
|
+
If you don't have time for two lines (I admit this one is a bit confusing) and
|
|
305
|
+
need to flip it:
|
|
306
|
+
|
|
307
|
+
```python
|
|
308
|
+
import pyobo
|
|
309
|
+
|
|
310
|
+
hgnc_id = pyobo.get_xref('hgnc', '4137', 'ncbigene', flip=True)
|
|
311
|
+
assert hgnc_id == '6893'
|
|
312
|
+
```
|
|
313
|
+
|
|
314
|
+
Remap a CURIE based on pre-defined priority list and [Inspector Javert's Xref
|
|
315
|
+
Database](https://cthoyt.com/2020/04/19/inspector-javerts-xref-database.html):
|
|
316
|
+
|
|
317
|
+
```python
|
|
318
|
+
|
|
319
|
+
import pyobo
|
|
320
|
+
|
|
321
|
+
# Map to the best source possible
|
|
322
|
+
mapt_ncbigene = pyobo.get_priority_curie('hgnc:6893')
|
|
323
|
+
assert mapt_ncbigene == 'ncbigene:4137'
|
|
324
|
+
|
|
325
|
+
# Sometimes you know you're the best. Own it.
|
|
326
|
+
assert 'ncbigene:4137' == pyobo.get_priority_curie('ncbigene:4137')
|
|
327
|
+
```
|
|
328
|
+
|
|
329
|
+
Find all CURIEs mapped to a given one using Inspector Javert's Xref Database:
|
|
330
|
+
|
|
331
|
+
```python
|
|
332
|
+
import pyobo
|
|
333
|
+
|
|
334
|
+
# Get a set of all CURIEs mapped to MAPT
|
|
335
|
+
mapt_curies = pyobo.get_equivalent('hgnc:6893')
|
|
336
|
+
assert 'ncbigene:4137' in mapt_curies
|
|
337
|
+
assert 'ensembl:ENSG00000186868' in mapt_curies
|
|
338
|
+
```
|
|
339
|
+
|
|
340
|
+
If you don't want to wait to build the database locally for the `pyobo.get_priority_curie` and
|
|
341
|
+
`pyobo.get_equivalent`, you can use the following code to download a release from
|
|
342
|
+
[Zenodo](https://zenodo.org/record/3757266):
|
|
343
|
+
|
|
344
|
+
```python
|
|
345
|
+
import pyobo.resource_utils
|
|
346
|
+
|
|
347
|
+
pyobo.resource_utils.ensure_inspector_javert()
|
|
348
|
+
```
|
|
349
|
+
|
|
350
|
+
### Properties
|
|
351
|
+
|
|
352
|
+
Get properties, like SMILES. The semantics of these are defined on an OBO-OBO basis.
|
|
353
|
+
|
|
354
|
+
```python
|
|
355
|
+
import pyobo
|
|
356
|
+
|
|
357
|
+
# I don't make the rules. I wouldn't have chosen this as the key for this property. It could be any string
|
|
358
|
+
chebi_smiles_property = 'http://purl.obolibrary.org/obo/chebi/smiles'
|
|
359
|
+
chebi_id_to_smiles = pyobo.get_filtered_properties_mapping('chebi', chebi_smiles_property)
|
|
360
|
+
|
|
361
|
+
smiles = chebi_id_to_smiles['132964']
|
|
362
|
+
assert smiles == 'C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@@H](C(OCCCC)=O)C)C(F)(F)F'
|
|
363
|
+
```
|
|
364
|
+
|
|
365
|
+
If you don't have time for two lines:
|
|
366
|
+
|
|
367
|
+
```python
|
|
368
|
+
import pyobo
|
|
369
|
+
|
|
370
|
+
smiles = pyobo.get_property('chebi', '132964', 'http://purl.obolibrary.org/obo/chebi/smiles')
|
|
371
|
+
assert smiles == 'C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@@H](C(OCCCC)=O)C)C(F)(F)F'
|
|
372
|
+
```
|
|
373
|
+
|
|
374
|
+
### Hierarchy
|
|
375
|
+
|
|
376
|
+
Check if an entity is in the hierarchy:
|
|
377
|
+
|
|
378
|
+
```python
|
|
379
|
+
import networkx as nx
|
|
380
|
+
import pyobo
|
|
381
|
+
|
|
382
|
+
# check that go:0008219 ! cell death is an ancestor of go:0006915 ! apoptotic process
|
|
383
|
+
assert 'go:0008219' in pyobo.get_ancestors('go', '0006915')
|
|
384
|
+
|
|
385
|
+
# check that go:0070246 ! natural killer cell apoptotic process is a
|
|
386
|
+
# descendant of go:0006915 ! apoptotic process
|
|
387
|
+
apopototic_process_descendants = pyobo.get_descendants('go', '0006915')
|
|
388
|
+
assert 'go:0070246' in apopototic_process_descendants
|
|
389
|
+
```
|
|
390
|
+
|
|
391
|
+
Get the sub-hierarchy below a given node:
|
|
392
|
+
|
|
393
|
+
```python
|
|
394
|
+
import pyobo
|
|
395
|
+
|
|
396
|
+
# get the descendant graph of go:0006915 ! apoptotic process
|
|
397
|
+
apopototic_process_subhierarchy = pyobo.get_subhierarchy('go', '0006915')
|
|
398
|
+
|
|
399
|
+
# check that go:0070246 ! natural killer cell apoptotic process is a
|
|
400
|
+
# descendant of go:0006915 ! apoptotic process through the subhierarchy
|
|
401
|
+
assert 'go:0070246' in apopototic_process_subhierarchy
|
|
402
|
+
```
|
|
403
|
+
|
|
404
|
+
Get a hierarchy with properties preloaded in the node data dictionaries:
|
|
405
|
+
|
|
406
|
+
```python
|
|
407
|
+
import pyobo
|
|
408
|
+
|
|
409
|
+
prop = 'http://purl.obolibrary.org/obo/chebi/smiles'
|
|
410
|
+
chebi_hierarchy = pyobo.get_hierarchy('chebi', properties=[prop])
|
|
411
|
+
|
|
412
|
+
assert 'chebi:132964' in chebi_hierarchy
|
|
413
|
+
assert prop in chebi_hierarchy.nodes['chebi:132964']
|
|
414
|
+
assert chebi_hierarchy.nodes['chebi:132964'][prop] == 'C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@@H](C(OCCCC)=O)C)C(F)(F)F'
|
|
415
|
+
```
|
|
416
|
+
|
|
417
|
+
### Relations
|
|
418
|
+
|
|
419
|
+
Get all orthologies (`ro:HOM0000017`) between HGNC and MGI (note: this is one way)
|
|
420
|
+
|
|
421
|
+
```python
|
|
422
|
+
>>> import pyobo
|
|
423
|
+
>>> human_mapt_hgnc_id = '6893'
|
|
424
|
+
>>> mouse_mapt_mgi_id = '97180'
|
|
425
|
+
>>> hgnc_mgi_orthology_mapping = pyobo.get_relation_mapping('hgnc', 'ro:HOM0000017', 'mgi')
|
|
426
|
+
>>> assert mouse_mapt_mgi_id == hgnc_mgi_orthology_mapping[human_mapt_hgnc_id]
|
|
427
|
+
```
|
|
428
|
+
|
|
429
|
+
If you want to do it in one line, use:
|
|
430
|
+
|
|
431
|
+
```python
|
|
432
|
+
|
|
433
|
+
>>> import pyobo
|
|
434
|
+
>>> human_mapt_hgnc_id = '6893'
|
|
435
|
+
>>> mouse_mapt_mgi_id = '97180'
|
|
436
|
+
>>> assert mouse_mapt_mgi_id == pyobo.get_relation('hgnc', 'ro:HOM0000017', 'mgi', human_mapt_hgnc_id)
|
|
437
|
+
```
|
|
438
|
+
|
|
439
|
+
### Writings Tests that Use PyOBO
|
|
440
|
+
|
|
441
|
+
If you're writing your own code that relies on PyOBO, and unit
|
|
442
|
+
testing it (as you should) in a continuous integration setting,
|
|
443
|
+
you've probably realized that loading all of the resources on each
|
|
444
|
+
build is not so fast. In those scenarios, you can use some of the
|
|
445
|
+
pre-build patches like in the following:
|
|
446
|
+
|
|
447
|
+
```python
|
|
448
|
+
import unittest
|
|
449
|
+
import pyobo
|
|
450
|
+
from pyobo.mocks import get_mock_id_name_mapping
|
|
451
|
+
|
|
452
|
+
mock_id_name_mapping = get_mock_id_name_mapping({
|
|
453
|
+
'chebi': {
|
|
454
|
+
'132964': 'fluazifop-P-butyl',
|
|
455
|
+
},
|
|
456
|
+
})
|
|
457
|
+
|
|
458
|
+
class MyTestCase(unittest.TestCase):
|
|
459
|
+
def my_test(self):
|
|
460
|
+
with mock_id_name_mapping:
|
|
461
|
+
# use functions directly, or use your functions that wrap them
|
|
462
|
+
pyobo.get_name('chebi', '1234')
|
|
463
|
+
```
|
|
464
|
+
|
|
465
|
+
|
|
466
|
+
## Curation of the Bioregistry
|
|
467
|
+
|
|
468
|
+
In order to normalize references and identify resources, PyOBO uses the
|
|
469
|
+
[Bioregistry](https://github.com/bioregistry/bioregistry). It used to be a part of PyOBO, but has since
|
|
470
|
+
been externalized for more general reuse.
|
|
471
|
+
|
|
472
|
+
At [src/pyobo/registries/metaregistry.json](https://github.com/pyobo/pyobo/blob/master/src/pyobo/registries/metaregistry.json)
|
|
473
|
+
is the curated "metaregistry". This is a source of information that contains
|
|
474
|
+
all sorts of fixes for missing/wrong information in MIRIAM, OLS, and OBO Foundry; entries that don't appear in
|
|
475
|
+
any of them; additional synonym information for each namespace/prefix; rules for normalizing xrefs and CURIEs, etc.
|
|
476
|
+
|
|
477
|
+
Other entries in the metaregistry:
|
|
478
|
+
|
|
479
|
+
- The `"remappings"->"full"` entry is a dictionary from strings that might follow `xref:`
|
|
480
|
+
in a given OBO file that need to be completely replaced, due to incorrect formatting
|
|
481
|
+
- The `"remappings"->"prefix"` entry contains a dictionary of prefixes for xrefs that need
|
|
482
|
+
to be remapped. Several rules, for example, remove superfluous spaces that occur inside
|
|
483
|
+
CURIEs or and others address instances of the GOGO issue.
|
|
484
|
+
- The `"blacklists"` entry contains rules for throwing out malformed xrefs based on
|
|
485
|
+
full string, just prefix, or just suffix.
|
|
486
|
+
|
|
487
|
+
## Troubleshooting
|
|
488
|
+
|
|
489
|
+
The OBO Foundry seems to be pretty unstable with respect to the URLs to OBO resources. If you get an error like:
|
|
490
|
+
|
|
491
|
+
```
|
|
492
|
+
pyobo.getters.MissingOboBuild: OBO Foundry is missing a build for: mondo
|
|
493
|
+
```
|
|
494
|
+
|
|
495
|
+
Then you should check the corresponding page on the OBO Foundry (in this case, http://www.obofoundry.org/ontology/mondo.html)
|
|
496
|
+
and make update to the `url` entry for that namespace in the Bioregistry.
|
|
497
|
+
|
|
498
|
+
## 🚀 Installation
|
|
499
|
+
|
|
500
|
+
The most recent release can be installed from
|
|
501
|
+
[PyPI](https://pypi.org/project/pyobo/) with:
|
|
502
|
+
|
|
503
|
+
```shell
|
|
504
|
+
pip install pyobo
|
|
505
|
+
```
|
|
506
|
+
|
|
507
|
+
The most recent code and data can be installed directly from GitHub with:
|
|
508
|
+
|
|
509
|
+
```shell
|
|
510
|
+
pip install git+https://github.com/biopragmatics/pyobo.git
|
|
511
|
+
```
|
|
512
|
+
|
|
513
|
+
## 👐 Contributing
|
|
514
|
+
|
|
515
|
+
Contributions, whether filing an issue, making a pull request, or forking, are appreciated. See
|
|
516
|
+
[CONTRIBUTING.md](https://github.com/biopragmatics/pyobo/blob/master/.github/CONTRIBUTING.md)
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for more information on getting involved.
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+
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+
## 👋 Attribution
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+
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521
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+
### ⚖️ License
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+
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+
The code in this package is licensed under the MIT License.
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+
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+
<!--
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+
### 📖 Citation
|
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+
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+
Citation goes here!
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+
-->
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530
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+
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+
<!--
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+
### 🎁 Support
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+
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+
This project has been supported by the following organizations (in alphabetical order):
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+
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+
- [Biopragmatics Lab](https://biopragmatics.github.io)
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+
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538
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+
-->
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539
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+
|
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+
<!--
|
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+
### 💰 Funding
|
|
542
|
+
|
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+
This project has been supported by the following grants:
|
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544
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+
|
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545
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+
| Funding Body | Program | Grant Number |
|
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|
+
|---------------|--------------------------------------------------------------|--------------|
|
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+
| Funder | [Grant Name (GRANT-ACRONYM)](https://example.com/grant-link) | ABCXYZ |
|
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+
-->
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549
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+
|
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550
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+
### 🍪 Cookiecutter
|
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551
|
+
|
|
552
|
+
This package was created with [@audreyfeldroy](https://github.com/audreyfeldroy)'s
|
|
553
|
+
[cookiecutter](https://github.com/cookiecutter/cookiecutter) package using [@cthoyt](https://github.com/cthoyt)'s
|
|
554
|
+
[cookiecutter-snekpack](https://github.com/cthoyt/cookiecutter-snekpack) template.
|
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555
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+
|
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556
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+
## 🛠️ For Developers
|
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557
|
+
|
|
558
|
+
<details>
|
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559
|
+
<summary>See developer instructions</summary>
|
|
560
|
+
|
|
561
|
+
The final section of the README is for if you want to get involved by making a code contribution.
|
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562
|
+
|
|
563
|
+
### Development Installation
|
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+
|
|
565
|
+
To install in development mode, use the following:
|
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566
|
+
|
|
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|
+
```bash
|
|
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|
+
git clone git+https://github.com/biopragmatics/pyobo.git
|
|
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|
+
cd pyobo
|
|
570
|
+
pip install -e .
|
|
571
|
+
```
|
|
572
|
+
|
|
573
|
+
### Updating Package Boilerplate
|
|
574
|
+
|
|
575
|
+
This project uses `cruft` to keep boilerplate (i.e., configuration, contribution guidelines, documentation
|
|
576
|
+
configuration)
|
|
577
|
+
up-to-date with the upstream cookiecutter package. Update with the following:
|
|
578
|
+
|
|
579
|
+
```shell
|
|
580
|
+
pip install cruft
|
|
581
|
+
cruft update
|
|
582
|
+
```
|
|
583
|
+
|
|
584
|
+
More info on Cruft's update command is
|
|
585
|
+
available [here](https://github.com/cruft/cruft?tab=readme-ov-file#updating-a-project).
|
|
586
|
+
|
|
587
|
+
### 🥼 Testing
|
|
588
|
+
|
|
589
|
+
After cloning the repository and installing `tox` with `pip install tox tox-uv`,
|
|
590
|
+
the unit tests in the `tests/` folder can be run reproducibly with:
|
|
591
|
+
|
|
592
|
+
```shell
|
|
593
|
+
tox -e py
|
|
594
|
+
```
|
|
595
|
+
|
|
596
|
+
Additionally, these tests are automatically re-run with each commit in a
|
|
597
|
+
[GitHub Action](https://github.com/biopragmatics/pyobo/actions?query=workflow%3ATests).
|
|
598
|
+
|
|
599
|
+
### 📖 Building the Documentation
|
|
600
|
+
|
|
601
|
+
The documentation can be built locally using the following:
|
|
602
|
+
|
|
603
|
+
```shell
|
|
604
|
+
git clone git+https://github.com/biopragmatics/pyobo.git
|
|
605
|
+
cd pyobo
|
|
606
|
+
tox -e docs
|
|
607
|
+
open docs/build/html/index.html
|
|
608
|
+
```
|
|
609
|
+
|
|
610
|
+
The documentation automatically installs the package as well as the `docs`
|
|
611
|
+
extra specified in the [`pyproject.toml`](../../Desktop/pyobo/pyproject.toml). `sphinx` plugins
|
|
612
|
+
like `texext` can be added there. Additionally, they need to be added to the
|
|
613
|
+
`extensions` list in [`docs/source/conf.py`](../../Desktop/pyobo/docs/source/conf.py).
|
|
614
|
+
|
|
615
|
+
The documentation can be deployed to [ReadTheDocs](https://readthedocs.io) using
|
|
616
|
+
[this guide](https://docs.readthedocs.io/en/stable/intro/import-guide.html).
|
|
617
|
+
The [`.readthedocs.yml`](../../Desktop/pyobo/.readthedocs.yml) YAML file contains all the configuration you'll need.
|
|
618
|
+
You can also set up continuous integration on GitHub to check not only that
|
|
619
|
+
Sphinx can build the documentation in an isolated environment (i.e., with `tox -e docs-test`)
|
|
620
|
+
but also that [ReadTheDocs can build it too](https://docs.readthedocs.io/en/stable/pull-requests.html).
|
|
621
|
+
|
|
622
|
+
#### Configuring ReadTheDocs
|
|
623
|
+
|
|
624
|
+
1. Log in to ReadTheDocs with your GitHub account to install the integration
|
|
625
|
+
at https://readthedocs.org/accounts/login/?next=/dashboard/
|
|
626
|
+
2. Import your project by navigating to https://readthedocs.org/dashboard/import then clicking the plus icon next to
|
|
627
|
+
your repository
|
|
628
|
+
3. You can rename the repository on the next screen using a more stylized name (i.e., with spaces and capital letters)
|
|
629
|
+
4. Click next, and you're good to go!
|
|
630
|
+
|
|
631
|
+
### 📦 Making a Release
|
|
632
|
+
|
|
633
|
+
#### Configuring Zenodo
|
|
634
|
+
|
|
635
|
+
[Zenodo](https://zenodo.org) is a long-term archival system that assigns a DOI to each release of your package.
|
|
636
|
+
|
|
637
|
+
1. Log in to Zenodo via GitHub with this link: https://zenodo.org/oauth/login/github/?next=%2F. This brings you to a
|
|
638
|
+
page that lists all of your organizations and asks you to approve installing the Zenodo app on GitHub. Click "grant"
|
|
639
|
+
next to any organizations you want to enable the integration for, then click the big green "approve" button. This
|
|
640
|
+
step only needs to be done once.
|
|
641
|
+
2. Navigate to https://zenodo.org/account/settings/github/, which lists all of your GitHub repositories (both in your
|
|
642
|
+
username and any organizations you enabled). Click the on/off toggle for any relevant repositories. When you make
|
|
643
|
+
a new repository, you'll have to come back to this
|
|
644
|
+
|
|
645
|
+
After these steps, you're ready to go! After you make "release" on GitHub (steps for this are below), you can navigate
|
|
646
|
+
to https://zenodo.org/account/settings/github/repository/biopragmatics/pyobo
|
|
647
|
+
to see the DOI for the release and link to the Zenodo record for it.
|
|
648
|
+
|
|
649
|
+
#### Registering with the Python Package Index (PyPI)
|
|
650
|
+
|
|
651
|
+
You only have to do the following steps once.
|
|
652
|
+
|
|
653
|
+
1. Register for an account on the [Python Package Index (PyPI)](https://pypi.org/account/register)
|
|
654
|
+
2. Navigate to https://pypi.org/manage/account and make sure you have verified your email address. A verification email
|
|
655
|
+
might not have been sent by default, so you might have to click the "options" dropdown next to your address to get to
|
|
656
|
+
the "re-send verification email" button
|
|
657
|
+
3. 2-Factor authentication is required for PyPI since the end of 2023 (see
|
|
658
|
+
this [blog post from PyPI](https://blog.pypi.org/posts/2023-05-25-securing-pypi-with-2fa/)). This means
|
|
659
|
+
you have to first issue account recovery codes, then set up 2-factor authentication
|
|
660
|
+
4. Issue an API token from https://pypi.org/manage/account/token
|
|
661
|
+
|
|
662
|
+
#### Configuring your machine's connection to PyPI
|
|
663
|
+
|
|
664
|
+
You have to do the following steps once per machine. Create a file in your home directory called
|
|
665
|
+
`.pypirc` and include the following:
|
|
666
|
+
|
|
667
|
+
```ini
|
|
668
|
+
[distutils]
|
|
669
|
+
index-servers =
|
|
670
|
+
pypi
|
|
671
|
+
testpypi
|
|
672
|
+
|
|
673
|
+
[pypi]
|
|
674
|
+
username = __token__
|
|
675
|
+
password = <the API token you just got>
|
|
676
|
+
|
|
677
|
+
# This block is optional in case you want to be able to make test releases to the Test PyPI server
|
|
678
|
+
[testpypi]
|
|
679
|
+
repository = https://test.pypi.org/legacy/
|
|
680
|
+
username = __token__
|
|
681
|
+
password = <an API token from test PyPI>
|
|
682
|
+
```
|
|
683
|
+
|
|
684
|
+
Note that since PyPI is requiring token-based authentication, we use `__token__` as the user, verbatim.
|
|
685
|
+
If you already have a `.pypirc` file with a `[distutils]` section, just make sure that there is an `index-servers`
|
|
686
|
+
key and that `pypi` is in its associated list. More information on configuring the `.pypirc` file can
|
|
687
|
+
be found [here](https://packaging.python.org/en/latest/specifications/pypirc).
|
|
688
|
+
|
|
689
|
+
#### Uploading to PyPI
|
|
690
|
+
|
|
691
|
+
After installing the package in development mode and installing
|
|
692
|
+
`tox` with `pip install tox tox-uv`,
|
|
693
|
+
run the following from the shell:
|
|
694
|
+
|
|
695
|
+
```shell
|
|
696
|
+
tox -e finish
|
|
697
|
+
```
|
|
698
|
+
|
|
699
|
+
This script does the following:
|
|
700
|
+
|
|
701
|
+
1. Uses [bump-my-version](https://github.com/callowayproject/bump-my-version) to switch the version number in
|
|
702
|
+
the `pyproject.toml`, `CITATION.cff`, `src/pyobo/version.py`,
|
|
703
|
+
and [`docs/source/conf.py`](../../Desktop/pyobo/docs/source/conf.py) to not have the `-dev` suffix
|
|
704
|
+
2. Packages the code in both a tar archive and a wheel using
|
|
705
|
+
[`uv build`](https://docs.astral.sh/uv/guides/publish/#building-your-package)
|
|
706
|
+
3. Uploads to PyPI using [`twine`](https://github.com/pypa/twine).
|
|
707
|
+
4. Push to GitHub. You'll need to make a release going with the commit where the version was bumped.
|
|
708
|
+
5. Bump the version to the next patch. If you made big changes and want to bump the version by minor, you can
|
|
709
|
+
use `tox -e bumpversion -- minor` after.
|
|
710
|
+
|
|
711
|
+
#### Releasing on GitHub
|
|
712
|
+
|
|
713
|
+
1. Navigate
|
|
714
|
+
to https://github.com/biopragmatics/pyobo/releases/new
|
|
715
|
+
to draft a new release
|
|
716
|
+
2. Click the "Choose a Tag" dropdown and select the tag corresponding to the release you just made
|
|
717
|
+
3. Click the "Generate Release Notes" button to get a quick outline of recent changes. Modify the title and description
|
|
718
|
+
as you see fit
|
|
719
|
+
4. Click the big green "Publish Release" button
|
|
720
|
+
|
|
721
|
+
This will trigger Zenodo to assign a DOI to your release as well.
|
|
722
|
+
|
|
723
|
+
</details>
|