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* Nonchiral atoms should be removed from StereoGroups This fixes a bug where atoms which have no chirality were left in StereoGroups In order to make this work, ROMol::setStereoGroups() needed to be made public. That shouldn't be a problem since it doesn't change connectivity. * support CXSmiles extensions in the hashes * initial tests for that * some cleanup * copyright header cleanup * minor refactoring * call out the changes in the release notes * extension and more testing * add python wrappers
13 lines
363 B
C
13 lines
363 B
C
//
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// Copyright (C) 2020 Greg Landrum and other RDKit contributors
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//
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// @@ All Rights Reserved @@
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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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#include <RDGeneral/export.h>
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#pragma once
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#include "nmmolhash.h"
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