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RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for RDKit::Conformer, including all inherited members.
clear() | RDKit::RDProps | inline |
clearComputedProps() const | RDKit::RDProps | inline |
clearProp(const std::string &key) const | RDKit::RDProps | inline |
Conformer() | RDKit::Conformer | inline |
Conformer(unsigned int numAtoms) | RDKit::Conformer | inline |
Conformer(const Conformer &other) | RDKit::Conformer | |
d_props | RDKit::RDProps | mutableprotected |
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 |
getDict() const | RDKit::RDProps | inline |
getDict() | RDKit::RDProps | inline |
getId() const | RDKit::Conformer | inline |
getNumAtoms() const | RDKit::Conformer | inline |
getOwningMol() const | RDKit::Conformer | inline |
getPositions() const | RDKit::Conformer | |
getPositions() | RDKit::Conformer | |
getProp(const std::string &key, T &res) const | RDKit::RDProps | inline |
getProp(const std::string &key) const | RDKit::RDProps | inline |
getPropIfPresent(const std::string &key, T &res) const | RDKit::RDProps | inline |
getPropList(bool includePrivate=true, bool includeComputed=true) const | RDKit::RDProps | inline |
hasOwningMol() const | RDKit::Conformer | inline |
hasProp(const std::string &key) const | RDKit::RDProps | inline |
is3D() const | RDKit::Conformer | inline |
operator=(const Conformer &other) | RDKit::Conformer | |
RDKit::RDProps::operator=(const RDProps &rhs) | RDKit::RDProps | inline |
RDProps() | RDKit::RDProps | inline |
RDProps(const RDProps &rhs) | RDKit::RDProps | 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 |
setProp(const std::string &key, T val, bool computed=false) const | RDKit::RDProps | inline |
updateProps(const RDProps &source, bool preserveExisting=false) | RDKit::RDProps | inline |
~Conformer() | RDKit::Conformer | inline |