RDKit
Open-source cheminformatics and machine learning.
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RDKit::MarvinDataSgroup Member List

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

addSgroupsToPtree(ptree &pt) constRDKit::MarvinMolBase
AnyOverLappingAtoms(const MarvinMolBase *otherMol) constRDKit::MarvinMolBase
atomRefInAtoms(MarvinAtom *a, std::string b)RDKit::MarvinMolBasestatic
atomsRDKit::MarvinMolBase
bondRefInBonds(MarvinBond *a, std::string b)RDKit::MarvinMolBasestatic
bondsRDKit::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::MarvinMolBasevirtual
cleanUpSgNumbering(int &sgCount, std::map< std::string, std::string > &sgMap)RDKit::MarvinMolBase
contextRDKit::MarvinDataSgroup
coordinatePrecisionRDKit::MarvinMolBase
copyMol(const std::string &idAppend) const overrideRDKit::MarvinDataSgroupvirtual
fieldDataRDKit::MarvinDataSgroup
fieldNameRDKit::MarvinDataSgroup
findAtomByRef(std::string atomId)RDKit::MarvinMolBase
findBondByRef(std::string atomId)RDKit::MarvinMolBase
getAtomIndex(std::string id) constRDKit::MarvinMolBase
getAtomList() constRDKit::MarvinMolBase
getBondIndex(std::string id) constRDKit::MarvinMolBase
getBondList() constRDKit::MarvinMolBase
getExplicitValence(const MarvinAtom &marvinAtom) constRDKit::MarvinMolBase
has2dCoords() constRDKit::MarvinMolBase
has3dCoords() constRDKit::MarvinMolBase
hasAny2dCoords() constRDKit::MarvinMolBase
hasAny3dCoords() constRDKit::MarvinMolBase
hasAtomBondBlocks() const overrideRDKit::MarvinDataSgroupvirtual
hasCoords() constRDKit::MarvinMolBase
idRDKit::MarvinMolBase
isPassiveRoleForContraction() constRDKit::MarvinMolBasevirtual
isPassiveRoleForExpansion() constRDKit::MarvinMolBasevirtual
isSgroupInSetOfAtoms(const std::vector< MarvinAtom * > &setOfAtoms) constRDKit::MarvinMolBasevirtual
MarvinDataSgroup(MarvinMolBase *parent)RDKit::MarvinDataSgroup
MarvinDataSgroup(MarvinMolBase *parent, ptree &molTree)RDKit::MarvinDataSgroup
MarvinMolBase()RDKit::MarvinMolBaseinline
molIDRDKit::MarvinMolBase
molIDInSgroups(std::string a, std::string b)RDKit::MarvinMolBasestatic
parentRDKit::MarvinMolBase
parseAtomsAndBonds(ptree &molTree)RDKit::MarvinMolBase
parseMoleculeSpecific(RDKit::RWMol *mol, std::unique_ptr< SubstanceGroup > &sgroup, int sequenceId) overrideRDKit::MarvinDataSgroupvirtual
placementRDKit::MarvinDataSgroup
prepSgroupsForRDKit()RDKit::MarvinMolBase
processSgroupsFromRDKit()RDKit::MarvinMolBase
processSpecialSgroups()RDKit::MarvinMolBasevirtual
pushOwnedAtom(MarvinAtom *atom)RDKit::MarvinMolBasevirtual
pushOwnedBond(MarvinBond *bond)RDKit::MarvinMolBasevirtual
queryOpRDKit::MarvinDataSgroup
queryTypeRDKit::MarvinDataSgroup
removeCoords()RDKit::MarvinMolBase
removeOwnedAtom(MarvinAtom *atom)RDKit::MarvinMolBasevirtual
removeOwnedBond(MarvinBond *bond)RDKit::MarvinMolBasevirtual
role() const overrideRDKit::MarvinDataSgroupvirtual
setPrecision(unsigned int precision)RDKit::MarvinMolBase
sgroupsRDKit::MarvinMolBase
toPtree() const overrideRDKit::MarvinDataSgroupvirtual
toString() const overrideRDKit::MarvinDataSgroupvirtual
unitsRDKit::MarvinDataSgroup
unitsDisplayedRDKit::MarvinDataSgroup
xRDKit::MarvinDataSgroup
yRDKit::MarvinDataSgroup
~MarvinMolBase()RDKit::MarvinMolBasevirtual