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73d26036de
* backup * compiles * progress, but not there yet * basics now working * start towards adding another test * test having two variation points * add actual enumeration and the corresponding tests * docs and cleanup * cleanups to get the mac build working * attempt to get win32 dll builds to work * dlls are fun * Add FixedMolSizeMolBundle class * changes in response to review Also: add warnings for bad input in ParseV3000Array * a bit of refactoring * additional testing * does not work, backup * LINKNODES work now * cleanup * allow silencing reaction validation warnings during initialization * docs * fix (and test) handling of empty enumerations * silence warnings when doing alchemy * first pass at a Python wrapper for the enumerator * Add Java wrappers for MolBundle and the MolEnumerator * cleanup some comment formatting
17 lines
364 B
OpenEdge ABL
17 lines
364 B
OpenEdge ABL
/*
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*
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* Copyright (c) 2020, Greg Landrum and T5 Informatics GmbH
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* All rights reserved.
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*
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* This file is part of the RDKit.
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* The contents are covered by the terms of the BSD license
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* which is included in the file license.txt, found at the root
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* of the RDKit source tree.
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*
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*/
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%{
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#include <GraphMol/MolBundle.h>
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%}
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%include<GraphMol/MolBundle.h>
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