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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 |
clearMaps() | 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
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