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RDKit
Open-source cheminformatics and machine learning.
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35 #ifndef __RD_SLNATTRIBS_H__
36 #define __RD_SLNATTRIBS_H__
40 #include <boost/smart_ptr.hpp>
57 : first(
""), second(
""), op(
""), negated(false), structQuery(0){};
65 typedef std::vector<std::pair<AttribCombineOp, boost::shared_ptr<AttribType>>>
void parseMolAttribs(ROMol *mol, AttribListType attribs)
parses the attributes provided for a ctab and sets
void adjustAtomChiralities(RWMol *mol)
class for representing a bond
RWMol is a molecule class that is intended to be edited.
The class for representing atoms.
void parseAtomAttribs(Atom *atom, AttribListType attribs, bool doingQuery)
parses the attributes provided for an atom and sets
void parseBondAttribs(Bond *bond, AttribListType attribs, bool doingQuery)
parses the attributes provided for a bond and sets
#define RDKIT_SLNPARSE_EXPORT
void parseFinalBondAttribs(Bond *bond, bool doingQuery)
void parseFinalAtomAttribs(Atom *atom, bool doingQuery)
std::vector< std::pair< AttribCombineOp, boost::shared_ptr< AttribType > > > AttribListType