RDKit::MarvinMultipleSgroup Member List

This is the complete list of members for RDKit::MarvinMultipleSgroup, 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
bondsToAtomsNotInExpandedGroup	RDKit::MarvinMultipleSgroup
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
contractOneMultipleSgroup()	RDKit::MarvinMultipleSgroup
coordinatePrecision	RDKit::MarvinMolBase
copyMol(const std::string &idAppend) const override	RDKit::MarvinMultipleSgroup	virtual
expandOneMultipleSgroup()	RDKit::MarvinMultipleSgroup
findAtomByRef(std::string atomId)	RDKit::MarvinMolBase
findBondByRef(std::string atomId)	RDKit::MarvinMolBase
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
getMatchedOrphanBondIndex(std::string atomIdToCheck, std::vector< MarvinBond * > &bondsToTry, std::vector< MarvinBond * > &orphanedBonds) const	RDKit::MarvinMultipleSgroup
has2dCoords() const	RDKit::MarvinMolBase
has3dCoords() const	RDKit::MarvinMolBase
hasAny2dCoords() const	RDKit::MarvinMolBase
hasAny3dCoords() const	RDKit::MarvinMolBase
hasAtomBondBlocks() const override	RDKit::MarvinMultipleSgroup	virtual
hasCoords() const	RDKit::MarvinMolBase
id	RDKit::MarvinMolBase
isExpanded	RDKit::MarvinMultipleSgroup
isPassiveRoleForContraction() const override	RDKit::MarvinMultipleSgroup	virtual
isPassiveRoleForExpansion() const override	RDKit::MarvinMultipleSgroup	virtual
isSgroupInSetOfAtoms(const std::vector< MarvinAtom * > &setOfAtoms) const	RDKit::MarvinMolBase	virtual
MarvinMolBase()	RDKit::MarvinMolBase	inline
MarvinMultipleSgroup(MarvinMolBase *parent)	RDKit::MarvinMultipleSgroup
MarvinMultipleSgroup(MarvinMolBase *parent, ptree &molTree)	RDKit::MarvinMultipleSgroup
molID	RDKit::MarvinMolBase
molIDInSgroups(std::string a, std::string b)	RDKit::MarvinMolBase	static
parent	RDKit::MarvinMolBase
parentAtoms	RDKit::MarvinMultipleSgroup
parseAtomsAndBonds(ptree &molTree)	RDKit::MarvinMolBase
parseMoleculeSpecific(RDKit::RWMol *mol, std::unique_ptr< SubstanceGroup > &sgroup, int sequenceId) override	RDKit::MarvinMultipleSgroup	virtual
prepSgroupsForRDKit()	RDKit::MarvinMolBase
processSgroupsFromRDKit()	RDKit::MarvinMolBase
processSpecialSgroups() override	RDKit::MarvinMultipleSgroup	virtual
pushOwnedAtom(MarvinAtom *atom)	RDKit::MarvinMolBase	virtual
pushOwnedBond(MarvinBond *bond)	RDKit::MarvinMolBase	virtual
removeCoords()	RDKit::MarvinMolBase
removeOwnedAtom(MarvinAtom *atom)	RDKit::MarvinMolBase	virtual
removeOwnedBond(MarvinBond *bond)	RDKit::MarvinMolBase	virtual
role() const override	RDKit::MarvinMultipleSgroup	virtual
setPrecision(unsigned int precision)	RDKit::MarvinMolBase
sgroups	RDKit::MarvinMolBase
title	RDKit::MarvinMultipleSgroup
toPtree() const override	RDKit::MarvinMultipleSgroup	virtual
toString() const override	RDKit::MarvinMultipleSgroup	virtual
~MarvinMolBase()	RDKit::MarvinMolBase	virtual