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22 lines
636 B
C++
22 lines
636 B
C++
//
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// Copyright (C) 2016 Novartis Institutes for BioMedical Research
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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 "StructChecker.h"
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namespace RDKit {
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namespace StructureCheck {
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RDKIT_STRUCTCHECKER_EXPORT bool StripSmallFragments(RWMol &mol, bool verbose=false);
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RDKIT_STRUCTCHECKER_EXPORT void AddMWMF(
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RWMol &mol,
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bool pre); // set mol formula & mass properties "MW_PRE" or "MW_POST"
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}
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}
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