RDKit
Open-source cheminformatics and machine learning.
RDKit::Conformer Member List
This is the complete list of members for
RDKit::Conformer
, including all inherited members.
Conformer
()
RDKit::Conformer
inline
Conformer
(unsigned int numAtoms)
RDKit::Conformer
inline
Conformer
(const Conformer &other)
RDKit::Conformer
getAtomPos
(unsigned int atomId) const
RDKit::Conformer
getAtomPos
(U atomId) const
RDKit::Conformer
inline
getAtomPos
(unsigned int atomId)
RDKit::Conformer
getAtomPos
(U atomId)
RDKit::Conformer
inline
getId
() const
RDKit::Conformer
inline
getNumAtoms
() const
RDKit::Conformer
inline
getOwningMol
() const
RDKit::Conformer
inline
getPositions
() const
RDKit::Conformer
getPositions
()
RDKit::Conformer
is3D
() const
RDKit::Conformer
inline
reserve
(unsigned int size)
RDKit::Conformer
inline
resize
(unsigned int size)
RDKit::Conformer
inline
ROMol
class
RDKit::Conformer
friend
set3D
(bool v)
RDKit::Conformer
inline
setAtomPos
(unsigned int atomId, const RDGeom::Point3D &position)
RDKit::Conformer
inline
setAtomPos
(U atomId, const RDGeom::Point3D &position)
RDKit::Conformer
inline
setId
(unsigned int id)
RDKit::Conformer
inline
setOwningMol
(ROMol *mol)
RDKit::Conformer
protected
setOwningMol
(ROMol &mol)
RDKit::Conformer
protected
~Conformer
()
RDKit::Conformer
inline
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