RDKit: Member List

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RDKit::MarvinSuperatomSgroup Member List

This is the complete list of members for RDKit::MarvinSuperatomSgroup, 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 |
attachmentPoints | RDKit::MarvinSuperatomSgroup |
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) override | RDKit::MarvinSuperatomSgroup | virtual
cleanUpSgNumbering(int &sgCount, std::map< std::string, std::string > &sgMap) | RDKit::MarvinMolBase |
convertFromOneSuperAtom() | RDKit::MarvinSuperatomSgroup |
coordinatePrecision | RDKit::MarvinMolBase |
copyMol(const std::string &idAppend) const override | RDKit::MarvinSuperatomSgroup | virtual
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 |
has2dCoords() const | RDKit::MarvinMolBase |
has3dCoords() const | RDKit::MarvinMolBase |
hasAny2dCoords() const | RDKit::MarvinMolBase |
hasAny3dCoords() const | RDKit::MarvinMolBase |
hasAtomBondBlocks() const override | RDKit::MarvinSuperatomSgroup | virtual
hasCoords() const | RDKit::MarvinMolBase |
id | RDKit::MarvinMolBase |
isPassiveRoleForContraction() const | RDKit::MarvinMolBase | virtual
isPassiveRoleForExpansion() const override | RDKit::MarvinSuperatomSgroup | virtual
isSgroupInSetOfAtoms(const std::vector< MarvinAtom * > &setOfAtoms) const override | RDKit::MarvinSuperatomSgroup | virtual
MarvinMolBase() | RDKit::MarvinMolBase | inline
MarvinSuperatomSgroup(MarvinMolBase *parent) | RDKit::MarvinSuperatomSgroup |
MarvinSuperatomSgroup(MarvinMolBase *parent, ptree &molTree) | RDKit::MarvinSuperatomSgroup |
molID | RDKit::MarvinMolBase |
molIDInSgroups(std::string a, std::string b) | RDKit::MarvinMolBase | static
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() override | RDKit::MarvinSuperatomSgroup | 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::MarvinSuperatomSgroup | virtual
setPrecision(unsigned int precision) | RDKit::MarvinMolBase |
sgroups | RDKit::MarvinMolBase |
title | RDKit::MarvinSuperatomSgroup |
toPtree() const override | RDKit::MarvinSuperatomSgroup | virtual
toString() const override | RDKit::MarvinSuperatomSgroup | virtual
~MarvinMolBase() | RDKit::MarvinMolBase | virtual
~MarvinSuperatomSgroup() override | RDKit::MarvinSuperatomSgroup |