rdkit

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Files

Kevin Burk f8cf31068e Support for logging via Python's logging module. (#4846 )

* Support for logging via Python's logging module.

* Avoid the Python 3.9+ PyObject_CallOneArg function.

* Move logging functions to RDBase; Python logger by default; clean up tests.

* See if removing NOGIL fixes the Windows stall.

* get tests running on windows

* Reset to using C++ logging; whiespace tweaks.

* Longer timestamp grace period; try tempfile vs Windows logging stall.

* Clean up commented code; get details for log count bug.

* SubstructLibrary: Fix c++ threads calling into python

* FilterCatalog: Fix c++ threads calling into python

* Release notes; make sure Jupyter still logs to sys.stderr.

* Always use thread-local log buffers.

* de-verbosify a test

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
Co-authored-by: Brian Kelley <fustigator@gmail.com>

2022-01-24 04:49:27 +01:00

Wrap

Support for logging via Python's logging module. (#4846 )

2022-01-24 04:49:27 +01:00

catch_tests.cpp

cleanup some compiler warnings (#4521 )

2021-09-16 04:34:40 +02:00

CMakeLists.txt

SubstructLibrary improvements (#4403 )

2021-08-24 05:02:41 +02:00

PatternFactory.cpp

Add tautomer query to the substructlibrary (#3808 )