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1494e7dd

Verified Commit 1494e7dd authored 2 years ago by Xavier Robin

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fix: SCHWED-5783 make element uppercase by convention

Fixes the SDF reader and documents the convention.

parent 244eee73

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modules/io/src/mol/sdf_reader.cc 3 additions, 1 deletion

modules/io/src/mol/sdf_reader.cc
modules/io/tests/test_io_sdf.cc 1 addition, 1 deletion

modules/io/tests/test_io_sdf.cc
modules/mol/alg/pymod/ligand_scoring.py 2 additions, 2 deletions

modules/mol/alg/pymod/ligand_scoring.py
modules/mol/base/doc/editors.rst 3 additions, 1 deletion

modules/mol/base/doc/editors.rst
modules/mol/base/doc/entity.rst 4 additions, 2 deletions

modules/mol/base/doc/entity.rst

with 13 additions and 7 deletions

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