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

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

addAtomWithBookmark(int mark)RDKit::SubstanceGroup
addAtomWithIdx(unsigned int idx)RDKit::SubstanceGroup
addAttachPoint(unsigned int aIdx, int lvIdx, const std::string &idStr)RDKit::SubstanceGroup
addBondWithBookmark(int mark)RDKit::SubstanceGroup
addBondWithIdx(unsigned int idx)RDKit::SubstanceGroup
addBracket(const Bracket &bracket)RDKit::SubstanceGroup
addCState(unsigned int bondIdx, const RDGeom::Point3D &vector)RDKit::SubstanceGroup
addParentAtomWithBookmark(int mark)RDKit::SubstanceGroup
addParentAtomWithIdx(unsigned int idx)RDKit::SubstanceGroup
adjustToRemovedAtom(unsigned int atomIdx)RDKit::SubstanceGroup
adjustToRemovedBond(unsigned int bondIdx)RDKit::SubstanceGroup
BondType enum nameRDKit::SubstanceGroup
Bracket typedefRDKit::SubstanceGroup
clear()RDKit::RDPropsinline
clearAttachPoints()RDKit::SubstanceGroupinline
clearBrackets()RDKit::SubstanceGroupinline
clearComputedProps() constRDKit::RDPropsinline
clearCStates()RDKit::SubstanceGroupinline
clearProp(const std::string &key) constRDKit::RDPropsinline
d_propsRDKit::RDPropsmutableprotected
getAtoms() constRDKit::SubstanceGroupinline
getAttachPoints() constRDKit::SubstanceGroupinline
getAttachPoints()RDKit::SubstanceGroupinline
getBonds() constRDKit::SubstanceGroupinline
getBondType(unsigned int bondIdx) constRDKit::SubstanceGroup
getBrackets() constRDKit::SubstanceGroupinline
getBrackets()RDKit::SubstanceGroupinline
getCStates() constRDKit::SubstanceGroupinline
getCStates()RDKit::SubstanceGroupinline
getDict() constRDKit::RDPropsinline
getDict()RDKit::RDPropsinline
getIndexInMol() constRDKit::SubstanceGroup
getIsValid() constRDKit::SubstanceGroupinline
getOwningMol() constRDKit::SubstanceGroupinline
getParentAtoms() constRDKit::SubstanceGroupinline
getProp(const std::string &key, T &res) constRDKit::RDPropsinline
getProp(const std::string &key) constRDKit::RDPropsinline
getPropIfPresent(const std::string &key, T &res) constRDKit::RDPropsinline
getPropList(bool includePrivate=true, bool includeComputed=true) constRDKit::RDPropsinline
hasOwningMol() constRDKit::SubstanceGroupinline
hasProp(const std::string &key) constRDKit::RDPropsinline
includesAtom(unsigned int atomIdx) constRDKit::SubstanceGroup
includesBond(unsigned int bondIdx) constRDKit::SubstanceGroup
operator=(const SubstanceGroup &other)=defaultRDKit::SubstanceGroup
operator=(SubstanceGroup &&other) noexceptRDKit::SubstanceGroupinline
RDKit::RDProps::operator=(const RDProps &rhs)RDKit::RDPropsinline
RDKit::RDProps::operator=(RDProps &&rhs) noexcept=defaultRDKit::RDProps
operator==(const SubstanceGroup &other) constRDKit::SubstanceGroupinline
RDProps()RDKit::RDPropsinline
RDProps(const RDProps &rhs)RDKit::RDPropsinline
RDProps(RDProps &&o) noexcept=defaultRDKit::RDProps
removeAtomWithIdx(unsigned int idx)RDKit::SubstanceGroup
removeBondWithIdx(unsigned int idx)RDKit::SubstanceGroup
removeParentAtomWithIdx(unsigned int idx)RDKit::SubstanceGroup
setAtoms(std::vector< unsigned int > atoms)RDKit::SubstanceGroup
setBonds(std::vector< unsigned int > bonds)RDKit::SubstanceGroup
setIsValid(bool isValid)RDKit::SubstanceGroupinline
setOwningMol(ROMol *mol)RDKit::SubstanceGroup
setParentAtoms(std::vector< unsigned int > patoms)RDKit::SubstanceGroup
setProp(const std::string &key, T val, bool computed=false) constRDKit::RDPropsinline
SubstanceGroup()=deleteRDKit::SubstanceGroup
SubstanceGroup(ROMol *owning_mol, const std::string &type)RDKit::SubstanceGroup
SubstanceGroup(const SubstanceGroup &other)=defaultRDKit::SubstanceGroup
SubstanceGroup(SubstanceGroup &&other) noexceptRDKit::SubstanceGroupinline
updateProps(const RDProps &source, bool preserveExisting=false)RDKit::RDPropsinline
~SubstanceGroup()=defaultRDKit::SubstanceGroup