Brian Kelley
c756aff4f9
[CONTRIB]: Freewilson now keeps the coordinates passed in ( #8868 )
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* Freewilson now keeps the coordinates passed in
* Add better 3D reconstruction test
2025-11-01 06:28:52 +01:00
Ric
880a8e5725
Reformat Python code for 2023.03 release ( #6294 )
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* run yapf
* run isort
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Co-authored-by: Greg Landrum <greg.landrum@gmail.com >
2023-04-28 06:53:56 +02:00
Brian Kelley
a5ae1924aa
Add a molzip that better handles RGroupDecomposition issues ( #5615 )
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Co-authored-by: Brian Kelley <bkelley@relaytx.com >
2022-10-05 06:16:47 +02:00
Ric
3b2916c9a4
Fixes #5172 ( #5181 )
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* add test
* fix LogStateSetter
* fix BlockLogs() usage in Draw module
* allow BlockLogs() as a contestmgr
* move test to more suitable location
* guarantee log restoration on __exit__
* skip test if logs cannot be grabbed before block
2022-04-12 05:57:25 +02:00
Eisuke Kawashima
b53ee20b49
Fix Flake8 erorrs ( #4252 )
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* Fix PEP8 [E101](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes )
* Fix PEP8 [E502](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes )
* Fix PEP8 [E703](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes )
* Fix PEP8 [E711](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes )
* Fix PEP8 [E712](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes )
* Fix PEP8 [E713](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes )
* Fix PEP8 [E722](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes )
* Fix PEP8 [W605](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes )
2022-03-10 06:55:18 +01:00
Paolo Tosco
106e9f7c37
Normalize line endings in source code files ( #4104 )
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* set all source code files to have native line endings
* normalized all source code line endings
Co-authored-by: Paolo Tosco <paolo.tosco@novartis.com >
2021-05-13 14:31:39 +02:00
Brian Kelley
e003366ec8
Change predictions_to_csv API to cover multi scaffolds ( #4109 )
2021-05-12 07:50:16 -04:00
Brian Kelley
83aa4850bf
Contribute FreeWilson analysis ( #4026 )
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* Contribute FreeWilson analysis
* Apply suggestions from code review
Co-authored-by: Greg Landrum <greg.landrum@gmail.com >
* Add regressison tests, fix docs
* Add hvy_count, fix documentation
* Update Contrib/FreeWilson/README.md
Co-authored-by: Greg Landrum <greg.landrum@gmail.com >
* Update Contrib/FreeWilson/README.md
Co-authored-by: Greg Landrum <greg.landrum@gmail.com >
* Remove exception handling from RGroup for better flow control. Add tests.
* Fix typo
Co-authored-by: Greg Landrum <greg.landrum@gmail.com >
Co-authored-by: Greg Landrum <greg.landrum@gmail.com >
2021-04-19 14:41:14 +02:00
