34 #ifndef __RD_SLNATTRIBS_H__ 35 #define __RD_SLNATTRIBS_H__ 39 #include <boost/smart_ptr.hpp> 63 typedef std::vector< std::pair<AttribCombineOp,boost::shared_ptr<AttribType> > >
AttribListType;
RWMol is a molecule class that is intended to be edited.
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
void parseMolAttribs(ROMol *mol, AttribListType attribs)
parses the attributes provided for a ctab and sets
ROMol is a molecule class that is intended to have a fixed topology.
void adjustAtomChiralities(RWMol *mol)
void parseFinalBondAttribs(Bond *bond, bool doingQuery)
Includes a bunch of functionality for handling Atom and Bond queries.
class for representing a bond
std::vector< std::pair< AttribCombineOp, boost::shared_ptr< AttribType > > > AttribListType
The class for representing atoms.
void parseFinalAtomAttribs(Atom *atom, bool doingQuery)