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30 lines
1.0 KiB
OpenEdge ABL
30 lines
1.0 KiB
OpenEdge ABL
/*
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*
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* Copyright (c) 2019, 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/ScaffoldNetwork/ScaffoldNetwork.h>
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typedef std::vector<std::string> STR_VECT;
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typedef std::vector<unsigned> UINT_VECT;
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%}
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%template(ROMol_Vect) std::vector<boost::shared_ptr<RDKit::ROMol>>;
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%template(NetworkEdge_Vect) std::vector<RDKit::ScaffoldNetwork::NetworkEdge>;
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%include <GraphMol/ScaffoldNetwork/ScaffoldNetwork.h>
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%template(createScaffoldNetwork) RDKit::ScaffoldNetwork::createScaffoldNetwork<std::vector<boost::shared_ptr<RDKit::ROMol>>>;
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// this is needed for the csharp wrappers to access count values as it does
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// not seem to be possible to wrap std::vector<unsigned>
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%extend RDKit::ScaffoldNetwork::ScaffoldNetwork {
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unsigned int nodeCount(unsigned int nodeNumber) {
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return $self->counts.at(nodeNumber);
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}
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} |