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Add PandasPdb.read_pdb_from_list method + unit test #72

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merged 3 commits into from
Oct 22, 2020

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dominiquesydow
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@dominiquesydow dominiquesydow commented Oct 22, 2020

Code of Conduct

Description

This PR suggests a class method PandasPdb.read_pdb_from_list in order to provide the same API in the mol2 and pdb modules.

pmol = PandasMol2()
pmol.read_mol2()
pmol.read_mol2_from_list()

ppdb = PandasPdb()
ppdb.read_pdb()
ppdb.read_pdb_from_list()  # New feature?

Related issues or pull requests

Proposes code for the suggested feature in #70.

Pull Request Checklist

  • Added a note about the modification or contribution to the ./docs/sources/CHANGELOG.md file (if applicable)
    • Add note to if this suggestion is considered to be accepted.
    • Do you mean this files ./docs/CHANGELOG.md?
  • Added appropriate unit test functions in the ./biopandas/*/tests directories (if applicable)
  • Modify documentation in the corresponding Jupyter Notebook under biopandas/docs/sources/ (if applicable)
    • Modify documentation if this suggestion is considered to be accepted.
    • Do you mean the Jupyter Notebook in biopandas/docs/tutorials/ or the Markdown documentation in biopandas/docs/sources/?
  • Ran PYTHONPATH='.' pytest ./biopandas -sv and make sure that all unit tests pass (for small modifications, it might be sufficient to only run the specific test file, e.g., PYTHONPATH='.' pytest ./biopandas/classifier/tests/test_stacking_cv_classifier.py -sv)
  • Checked for style issues by running flake8 ./biopandas

@pep8speaks
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pep8speaks commented Oct 22, 2020

Hello @dominiquesydow! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

There are currently no PEP 8 issues detected in this Pull Request. Cheers! 🍻

Comment last updated at 2020-10-22 18:25:32 UTC

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coveralls commented Oct 22, 2020

Coverage Status

Coverage increased (+0.1%) to 94.334% when pulling 50fd9c4 on dominiquesydow:add-read-pdb-from-list into 8da42c2 on rasbt:master.

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rasbt commented Oct 22, 2020

Thanks for the PR. Looks great! I will add the changelog entry in the other PR (#73) to avoid rebasing.

@rasbt rasbt merged commit 40e4f5a into BioPandas:master Oct 22, 2020
nozomu-y pushed a commit to nozomu-y/biopandas that referenced this pull request Jan 9, 2023
…-list

Add PandasPdb.read_pdb_from_list method + unit test
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4 participants