SLNParseOps.h File Reference

#include <vector>
#include <GraphMol/SLNParse/SLNParse.h>
#include <GraphMol/SLNParse/SLNAttribs.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/RDKitQueries.h>
#include <boost/lexical_cast.hpp>

Go to the source code of this file.

Namespaces
	RDKit
	Includes a bunch of functionality for handling Atom and Bond queries.
	RDKit::SLNParse

Functions
template<typename AtomType >
int	RDKit::SLNParse::startMol (std::vector< RWMol *> &molList, AtomType *firstAtom, bool doingQuery)
	initialize a molecule More...
template<typename AtomType , typename BondType >
void	RDKit::SLNParse::addAtomToMol (std::vector< RWMol *> &molList, unsigned int idx, AtomType *atom, BondType *bond, bool doingQuery)
	adds an atom to a molecule More...
template<typename AtomType >
void	RDKit::SLNParse::addAtomToMol (std::vector< RWMol *> &molList, unsigned int idx, AtomType *atom, bool doingQuery)
template<typename BondType >
void	RDKit::SLNParse::closeRingBond (std::vector< RWMol *> &molList, unsigned int molIdx, unsigned int ringIdx, BondType *bond, bool postponeAllowed=true)
	closes an indexed ring in a molecule using the bond provided More...
void	RDKit::SLNParse::closeRingBond (std::vector< RWMol *> &molList, unsigned int molIdx, unsigned int ringIdx)
template<typename BondType >
int	RDKit::SLNParse::addBranchToMol (std::vector< RWMol *> &molList, unsigned int molIdx, unsigned int branchIdx, BondType *&bond)
int	RDKit::SLNParse::addBranchToMol (std::vector< RWMol *> &molList, unsigned int molIdx, unsigned int branchIdx)
int	RDKit::SLNParse::addFragToMol (std::vector< RWMol *> &molList, unsigned int molIdx, unsigned int fragIdx)
	adds the atoms and bonds from a fragment to the molecule, sets no bond More...
template<typename T >
std::string	RDKit::SLNParse::convertToString (T val)
	convenience function to convert the argument to a string More...
void	RDKit::SLNParse::CleanupAfterParseError (RWMol *mol)