SLNParseOps.h File Reference

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

Go to the source code of this file.

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::SLNParse

Functions
template<typename AtomType >
int	RDKit::SLNParse::startMol (std::vector< RWMol * > &molList, AtomType *firstAtom, bool doingQuery)
	initialize a molecule
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
template<typename AtomType >
void	RDKit::SLNParse::addAtomToMol (std::vector< RWMol * > &molList, unsigned int idx, AtomType *atom, bool doingQuery)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<typename BondType >
void	RDKit::SLNParse::closeRingBond (std::vector< RWMol * > &molList, unsigned int molIdx, unsigned int ringIdx, BondType *bond, bool postponeAllowed=true)
void	RDKit::SLNParse::closeRingBond (std::vector< RWMol * > &molList, unsigned int molIdx, unsigned int ringIdx)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
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)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
int	RDKit::SLNParse::addFragToMol (std::vector< RWMol * > &molList, unsigned int molIdx, unsigned int fragIdx)
template<typename T >
std::string	RDKit::SLNParse::convertToString (T val)
	convenience function to convert the argument to a string