RDKit: SLNParseOps.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Namespaces | Functions
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