RDKit::MarvinMol Member List

This is the complete list of members for RDKit::MarvinMol, including all inherited members.

addSgroupsToPtree(ptree &pt) const	RDKit::MarvinMolBase
AnyOverLappingAtoms(const MarvinMolBase *otherMol) const	RDKit::MarvinMolBase
atomRefInAtoms(MarvinAtom *a, std::string b)	RDKit::MarvinMolBase	static
atoms	RDKit::MarvinMolBase
bondRefInBonds(MarvinBond *a, std::string b)	RDKit::MarvinMolBase	static
bonds	RDKit::MarvinMolBase
cleanUpNumbering(int &molCount, int &atomCount, int &bondCount, int &sgCount, std::map< std::string, std::string > &sgMap, std::map< std::string, std::string > &atomMap, std::map< std::string, std::string > &bondMap)	RDKit::MarvinMolBase
cleanUpNumberingMolsAtomsBonds(int &molCount, int &atomCount, int &bondCount, std::map< std::string, std::string > &sgMap, std::map< std::string, std::string > &atomMap, std::map< std::string, std::string > &bondMap)	RDKit::MarvinMolBase	virtual
cleanUpSgNumbering(int &sgCount, std::map< std::string, std::string > &sgMap)	RDKit::MarvinMolBase
coordinatePrecision	RDKit::MarvinMolBase
copyMol(const std::string &idAppend) const override	RDKit::MarvinMol	virtual
findAtomByRef(std::string atomId)	RDKit::MarvinMolBase
findBondByRef(std::string atomId)	RDKit::MarvinMolBase
generateMolString()	RDKit::MarvinMol
getAtomIndex(std::string id) const	RDKit::MarvinMolBase
getAtomList() const	RDKit::MarvinMolBase
getBondIndex(std::string id) const	RDKit::MarvinMolBase
getBondList() const	RDKit::MarvinMolBase
getExplicitValence(const MarvinAtom &marvinAtom) const	RDKit::MarvinMolBase
has2dCoords() const	RDKit::MarvinMolBase
has3dCoords() const	RDKit::MarvinMolBase
hasAny2dCoords() const	RDKit::MarvinMolBase
hasAny3dCoords() const	RDKit::MarvinMolBase
hasAtomBondBlocks() const override	RDKit::MarvinMol	virtual
hasCoords() const	RDKit::MarvinMolBase
id	RDKit::MarvinMolBase
isPassiveRoleForContraction() const override	RDKit::MarvinMol	virtual
isPassiveRoleForExpansion() const	RDKit::MarvinMolBase	virtual
isSgroupInSetOfAtoms(const std::vector< MarvinAtom * > &setOfAtoms) const	RDKit::MarvinMolBase	virtual
MarvinMol()	RDKit::MarvinMol
MarvinMol(ptree &molTree)	RDKit::MarvinMol
MarvinMolBase()	RDKit::MarvinMolBase	inline
molID	RDKit::MarvinMolBase
molIDInSgroups(std::string a, std::string b)	RDKit::MarvinMolBase	static
ownedAtoms	RDKit::MarvinMol
ownedBonds	RDKit::MarvinMol
parent	RDKit::MarvinMolBase
parseAtomsAndBonds(ptree &molTree)	RDKit::MarvinMolBase
parseMoleculeSpecific(RDKit::RWMol *mol, std::unique_ptr< SubstanceGroup > &sgroup, int sequenceId)	RDKit::MarvinMolBase	virtual
prepSgroupsForRDKit()	RDKit::MarvinMolBase
processSgroupsFromRDKit()	RDKit::MarvinMolBase
processSpecialSgroups()	RDKit::MarvinMolBase	virtual
pushOwnedAtom(MarvinAtom *atom) override	RDKit::MarvinMol	virtual
pushOwnedBond(MarvinBond *bond) override	RDKit::MarvinMol	virtual
removeCoords()	RDKit::MarvinMolBase
removeOwnedAtom(MarvinAtom *atom) override	RDKit::MarvinMol	virtual
removeOwnedBond(MarvinBond *bond) override	RDKit::MarvinMol	virtual
role() const override	RDKit::MarvinMol	virtual
setPrecision(unsigned int precision)	RDKit::MarvinMolBase
sgroups	RDKit::MarvinMolBase
toMolPtree() const	RDKit::MarvinMol
toPtree() const override	RDKit::MarvinMol	virtual
toString() const override	RDKit::MarvinMol	virtual
~MarvinMol() override	RDKit::MarvinMol
~MarvinMolBase()	RDKit::MarvinMolBase	virtual