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 name
RDKit::SubstanceGroup
Bracket
typedef
RDKit::SubstanceGroup
clear
()
RDKit::RDProps
inline
clearAttachPoints
()
RDKit::SubstanceGroup
inline
clearBrackets
()
RDKit::SubstanceGroup
inline
clearComputedProps
() const
RDKit::RDProps
inline
clearCStates
()
RDKit::SubstanceGroup
inline
clearProp
(const std::string_view key) const
RDKit::RDProps
inline
d_props
RDKit::RDProps
mutable
protected
getAtoms
() const
RDKit::SubstanceGroup
inline
getAttachPoints
() const
RDKit::SubstanceGroup
inline
getAttachPoints
()
RDKit::SubstanceGroup
inline
getBonds
() const
RDKit::SubstanceGroup
inline
getBondType
(unsigned int bondIdx) const
RDKit::SubstanceGroup
getBrackets
() const
RDKit::SubstanceGroup
inline
getBrackets
()
RDKit::SubstanceGroup
inline
getCStates
() const
RDKit::SubstanceGroup
inline
getCStates
()
RDKit::SubstanceGroup
inline
getDict
() const
RDKit::RDProps
inline
getDict
()
RDKit::RDProps
inline
getIndexInMol
() const
RDKit::SubstanceGroup
getIsValid
() const
RDKit::SubstanceGroup
inline
getOwningMol
() const
RDKit::SubstanceGroup
inline
getParentAtoms
() const
RDKit::SubstanceGroup
inline
getProp
(const std::string_view key, T &res) const
RDKit::RDProps
inline
getProp
(const std::string_view key) const
RDKit::RDProps
inline
getPropIfPresent
(const std::string_view key, T &res) const
RDKit::RDProps
inline
getPropList
(bool includePrivate=true, bool includeComputed=true) const
RDKit::RDProps
inline
hasOwningMol
() const
RDKit::SubstanceGroup
inline
hasProp
(const std::string_view key) const
RDKit::RDProps
inline
includesAtom
(unsigned int atomIdx) const
RDKit::SubstanceGroup
includesBond
(unsigned int bondIdx) const
RDKit::SubstanceGroup
operator=
(const SubstanceGroup &other)=default
RDKit::SubstanceGroup
operator=
(SubstanceGroup &&other) noexcept
RDKit::SubstanceGroup
inline
RDKit::RDProps::operator=
(const RDProps &rhs)
RDKit::RDProps
inline
RDKit::RDProps::operator=
(RDProps &&rhs) noexcept=default
RDKit::RDProps
operator==
(const SubstanceGroup &other) const
RDKit::SubstanceGroup
inline
RDProps
()
RDKit::RDProps
inline
RDProps
(const RDProps &rhs)
RDKit::RDProps
inline
RDProps
(RDProps &&o) noexcept=default
RDKit::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::SubstanceGroup
inline
setOwningMol
(ROMol *mol)
RDKit::SubstanceGroup
setParentAtoms
(std::vector< unsigned int > patoms)
RDKit::SubstanceGroup
setProp
(const std::string_view key, T val, bool computed=false) const
RDKit::RDProps
inline
SubstanceGroup
()=delete
RDKit::SubstanceGroup
SubstanceGroup
(ROMol *owning_mol, const std::string &type)
RDKit::SubstanceGroup
SubstanceGroup
(const SubstanceGroup &other)=default
RDKit::SubstanceGroup
SubstanceGroup
(SubstanceGroup &&other) noexcept
RDKit::SubstanceGroup
inline
updateProps
(const RDProps &source, bool preserveExisting=false)
RDKit::RDProps
inline
~SubstanceGroup
()=default
RDKit::SubstanceGroup
Generated on
for RDKit by
1.17.0