AvogadroLibs  1.90.0
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Molecule Member List

This is the complete list of members for Molecule, including all inherited members.

addAtom(unsigned char atomicNumber) AVO_OVERRIDEMoleculevirtual
addAtom(unsigned char atomicNumber, Index uniqueId)Moleculevirtual
addBond(const AtomType &a, const AtomType &b, unsigned char bondOrder=1) AVO_OVERRIDEMoleculevirtual
addBond(Index atomId1, Index atomId2, unsigned char bondOrder=1) AVO_OVERRIDEMoleculevirtual
addBond(const AtomType &a, const AtomType &b, unsigned char bondOrder, Index uniqueId)Moleculevirtual
addCube()Molecule
Added enum valueMolecule
addMesh()Molecule
atom(Index index) const Molecule
atomByUniqueId(Index uniqueId)Molecule
atomCount() const Molecule
atomCount(unsigned char atomicNumber) const Molecule
atomicNumber(Index atomId) const Molecule
atomicNumbers()Molecule
atomicNumbers() const Molecule
atomPosition2d(Index atomId) const Molecule
atomPosition3d(Index atomId) const Molecule
atomPositions2d() const Molecule
atomPositions2d()Molecule
atomPositions3d() const Molecule
atomPositions3d()Molecule
Atoms enum valueMolecule
atomSelected(Index atomId) const Molecule
AtomType typedefMolecule
atomUniqueId(const AtomType &atom) const Molecule
atomUniqueId(Index atom) const Molecule
atomUniqueIds() (defined in Molecule)Molecule
basisSet()Molecule
basisSet() const (defined in Molecule)Molecule
bond(Index index) const Molecule
bond(const AtomType &a, const AtomType &b) const Molecule
bond(Index atomId1, Index atomId2) const Molecule
bondByUniqueId(Index uniqueId)Molecule
bondCount() const Molecule
bondOrder(Index bondId) const Molecule
bondOrders()Molecule
bondOrders() const Molecule
bondPair(Index bondId) const Molecule
bondPairs()Molecule
bondPairs() const Molecule
Bonds enum value (defined in Molecule)Molecule
bonds(const AtomType &a)Molecule
bonds(Index a)Molecule
BondType typedefMolecule
bondUniqueId(const BondType &bond) const Molecule
bondUniqueId(Index bond) const Molecule
bondUniqueIds() (defined in Molecule)Molecule
changed(unsigned int change)Moleculesignal
clearAtoms()Moleculevirtual
clearBonds()Moleculevirtual
clearCubes() (defined in Molecule)Molecule
clearMeshes() (defined in Molecule)Molecule
coordinate3d() const (defined in Molecule)Molecule
coordinate3dCount() (defined in Molecule)Molecule
cube(Index index) (defined in Molecule)Molecule
cube(Index index) const (defined in Molecule)Molecule
cubeCount() const (defined in Molecule)Molecule
cubes()Molecule
cubes() const (defined in Molecule)Molecule
CustomElementMap typedefMolecule
customElementMap() const Molecule
data(const std::string &name) const Molecule
dataMap() const Molecule
dataMap()Molecule
emitChanged(unsigned int change)Moleculeslot
findAtomUniqueId(Index index) const (defined in Molecule)Molecule
findBondUniqueId(Index index) const (defined in Molecule)Molecule
formalCharge(Index atomId) const Molecule
formalCharges()Molecule
formalCharges() const Molecule
formula(const std::string &delimiter="", int showCountsOver=1) const Molecule
graph()Molecule
graph() const Molecule
hasCustomElements() const Molecule
hasData(const std::string &name) const Molecule
hybridization(Index atomId) const Molecule
hybridizations()Molecule
hybridizations() const Molecule
m_atomicNumbers (defined in Molecule)Moleculeprotected
m_basisSet (defined in Molecule)Moleculeprotected
m_bondOrders (defined in Molecule)Moleculeprotected
m_bondPairs (defined in Molecule)Moleculeprotected
m_coordinates3d (defined in Molecule)Moleculeprotected
m_cubes (defined in Molecule)Moleculeprotected
m_customElementMap (defined in Molecule)Moleculeprotected
m_data (defined in Molecule)Moleculeprotected
m_formalCharges (defined in Molecule)Moleculeprotected
m_graph (defined in Molecule)Moleculemutableprotected
m_graphDirty (defined in Molecule)Moleculemutableprotected
m_hybridizations (defined in Molecule)Moleculeprotected
m_meshes (defined in Molecule)Moleculeprotected
m_positions2d (defined in Molecule)Moleculeprotected
m_positions3d (defined in Molecule)Moleculeprotected
m_selectedAtoms (defined in Molecule)Moleculeprotected
m_unitCell (defined in Molecule)Moleculeprotected
m_vibrationFrequencies (defined in Molecule)Moleculeprotected
m_vibrationIntensities (defined in Molecule)Moleculeprotected
m_vibrationLx (defined in Molecule)Moleculeprotected
mass() const Molecule
mesh(Index index) (defined in Molecule)Molecule
mesh(Index index) const (defined in Molecule)Molecule
meshCount() const (defined in Molecule)Molecule
Modified enum value (defined in Molecule)Molecule
Molecule(QObject *parent_=0) (defined in Molecule)Molecule
Molecule(const Molecule &other)Molecule
Molecule(const Core::Molecule &other)Molecule
Avogadro::Core::Molecule::Molecule()Molecule
MoleculeChange enum nameMolecule
NoChange enum valueMolecule
operator=(const Molecule &other)Molecule
operator=(const Core::Molecule &other)Molecule
perceiveBondsSimple()Molecule
PersistentAtomType typedefMolecule
PersistentBondType typedefMolecule
removeAtom(Index index) AVO_OVERRIDEMoleculevirtual
removeAtom(const AtomType &atom) AVO_OVERRIDEMoleculevirtual
removeBond(Index index) AVO_OVERRIDEMoleculevirtual
removeBond(const BondType &bond) AVO_OVERRIDEMoleculevirtual
removeBond(const AtomType &atom1, const AtomType &atom2) AVO_OVERRIDEMoleculevirtual
removeBond(Index atom1, Index atom2) AVO_OVERRIDEMoleculevirtual
Removed enum value (defined in Molecule)Molecule
setAtomicNumber(Index atomId, unsigned char atomicNumber)Molecule
setAtomicNumbers(const Core::Array< unsigned char > &nums)Molecule
setAtomPosition2d(Index atomId, const Vector2 &pos)Molecule
setAtomPosition3d(Index atomId, const Vector3 &pos)Molecule
setAtomPositions2d(const Core::Array< Vector2 > &pos)Molecule
setAtomPositions3d(const Core::Array< Vector3 > &pos)Molecule
setAtomSelected(Index atomId, bool selected)Molecule
setBasisSet(BasisSet *basis)Molecule
setBondOrder(Index bondId, unsigned char order)Molecule
setBondOrders(const Array< unsigned char > &orders)Molecule
setBondPair(Index bondId, const std::pair< Index, Index > &pair)Molecule
setBondPairs(const Array< std::pair< Index, Index > > &pairs)Molecule
setCoordinate3d(int coord) (defined in Molecule)Molecule
setCoordinate3d(const Array< Vector3 > &coords, int index) (defined in Molecule)Molecule
setCustomElementMap(const CustomElementMap &map)Molecule
setData(const std::string &name, const Variant &value)Molecule
setDataMap(const VariantMap &map)Molecule
setFormalCharge(Index atomId, signed char charge)Molecule
setFormalCharges(const Core::Array< signed char > &charges)Molecule
setHybridization(Index atomId, AtomHybridization hybridization)Molecule
setHybridizations(const Core::Array< AtomHybridization > &hybs)Molecule
setUnitCell(UnitCell *uc)Molecule
setVibrationFrequencies(const Array< double > &freq) (defined in Molecule)Molecule
setVibrationIntensities(const Array< double > &intensities) (defined in Molecule)Molecule
setVibrationLx(const Array< Array< Vector3 > > &lx) (defined in Molecule)Molecule
undoMolecule() (defined in Molecule)Molecule
UnitCell enum value (defined in Molecule)Molecule
unitCell()Molecule
unitCell() const Molecule
updateGraph() const Moleculeprotected
vibrationFrequencies() const (defined in Molecule)Molecule
vibrationIntensities() const (defined in Molecule)Molecule
vibrationLx(int mode) const (defined in Molecule)Molecule
~Molecule()Moleculevirtual