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/*
*
* Copyright (c) 2019, Greg Landrum
* All rights reserved.
*
* This file is part of the RDKit.
* The contents are covered by the terms of the BSD license
* which is included in the file license.txt, found at the root
* of the RDKit source tree.
*
*/
%{
#include <GraphMol/RGroupDecomposition/RGroupDecomp.h>
typedef std::vector<std::string> STR_VECT;
%}
%template(SparseIntVect64) RDKit::SparseIntVect<boost::int64_t>;
%template(StringMolMap) std::map<std::string, boost::shared_ptr<RDKit::ROMol>>;
%template(ROMol_Vect) std::vector<boost::shared_ptr<RDKit::ROMol>>;
%template(StringMolMap_Vect) std::vector<std::map<std::string, boost::shared_ptr<RDKit::ROMol>>>;
%template(StringROMol_VectMap) std::map<std::string,std::vector<boost::shared_ptr<RDKit::ROMol>>>;
%extend std::map<std::string, boost::shared_ptr<RDKit::ROMol>> {
std::vector<std::string> keys() {
std::vector<std::string> _keys;
for(auto it : *self) {
std::cerr << "* '" << it.first << "'" << std::endl;
_keys.push_back(it.first);
}
return _keys;
}
}
%extend std::map<std::string,std::vector<boost::shared_ptr<RDKit::ROMol>>> {
std::vector<std::string> keys() {
std::vector<std::string> _keys;
for(auto it : *self) {
_keys.push_back(it.first);
}
return _keys;
}
}
%include <GraphMol/RGroupDecomposition/RGroupDecomp.h>
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