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.

clear()RDKit::RDPropsinline
clearComputedProps() constRDKit::RDPropsinline
clearProp(const std::string &key) constRDKit::RDPropsinline
Conformer()RDKit::Conformerinline
Conformer(unsigned int numAtoms)RDKit::Conformerinline
Conformer(const Conformer &other)RDKit::Conformer
d_propsRDKit::RDPropsmutableprotected
getAtomPos(unsigned int atomId) constRDKit::Conformer
getAtomPos(U atomId) constRDKit::Conformerinline
getAtomPos(unsigned int atomId)RDKit::Conformer
getAtomPos(U atomId)RDKit::Conformerinline
getDict() constRDKit::RDPropsinline
getDict()RDKit::RDPropsinline
getId() constRDKit::Conformerinline
getNumAtoms() constRDKit::Conformerinline
getOwningMol() constRDKit::Conformerinline
getPositions() constRDKit::Conformer
getPositions()RDKit::Conformer
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::Conformerinline
hasProp(const std::string &key) constRDKit::RDPropsinline
is3D() constRDKit::Conformerinline
operator=(const Conformer &other)RDKit::Conformer
RDKit::RDProps::operator=(const RDProps &rhs)RDKit::RDPropsinline
RDProps()RDKit::RDPropsinline
RDProps(const RDProps &rhs)RDKit::RDPropsinline
reserve(unsigned int size)RDKit::Conformerinline
resize(unsigned int size)RDKit::Conformerinline
ROMol classRDKit::Conformerfriend
set3D(bool v)RDKit::Conformerinline
setAtomPos(unsigned int atomId, const RDGeom::Point3D &position)RDKit::Conformerinline
setAtomPos(U atomId, const RDGeom::Point3D &position)RDKit::Conformerinline
setId(unsigned int id)RDKit::Conformerinline
setOwningMol(ROMol *mol)RDKit::Conformerprotected
setOwningMol(ROMol &mol)RDKit::Conformerprotected
setProp(const std::string &key, T val, bool computed=false) constRDKit::RDPropsinline
updateProps(const RDProps &source, bool preserveExisting=false)RDKit::RDPropsinline
~Conformer()RDKit::Conformerinline