AvogadroLibs 1.98.1
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RWMolecule Member List

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

addAtom(unsigned char atomicNumber, bool usingPositions=true)RWMolecule
addAtom(unsigned char atomicNumber, const Vector3 &position3d)RWMolecule
addBond(Index atom1, Index atom2, unsigned char order=1)RWMolecule
addBond(const AtomType &atom1, const AtomType &atom2, unsigned char order=1)RWMolecule
addUnitCell()RWMolecule
adjustHydrogens(Index atomId)RWMolecule
adjustHydrogens(const Core::Array< Index > &atomIds)RWMolecule
appendMolecule(const Molecule &addMolecule, const QString &undoText=QStringLiteral("Append Molecule"))RWMolecule
atom(Index atomId) constRWMolecule
atomByUniqueId(Index atomUId) constRWMolecule
atomCount() constRWMolecule
atomCount(unsigned char atomicNumber) constRWMolecule
atomicNumber(Index atomId) constRWMolecule
atomicNumbers() constRWMolecule
atomPosition2d(Index) (defined in RWMolecule)RWMolecule
atomPosition3d(Index atomId) constRWMolecule
atomPositions2d() const (defined in RWMolecule)RWMolecule
atomPositions3d() constRWMolecule
atomSelected(Index atomId) constRWMolecule
AtomType typedefRWMolecule
atomUniqueId(Index atomId) constRWMolecule
atomUniqueId(const AtomType &atom) constRWMolecule
beginMergeMode(const QString &undoName=QStringLiteral("Draw"))RWMolecule
bond(Index bondId) constRWMolecule
bond(Index atom1, Index atom2) constRWMolecule
bond(const AtomType &atom1, const AtomType &atom2) constRWMolecule
bondByUniqueId(Index bondUid) constRWMolecule
bondCount() constRWMolecule
bondOrder(Index bondId) constRWMolecule
bondOrders() constRWMolecule
bondPair(Index bondId) constRWMolecule
bondPairs() constRWMolecule
bonds(const AtomType &atom) constRWMolecule
bonds(const Index &atomId) constRWMolecule
BondType typedefRWMolecule
bondUniqueId(Index bondId) constRWMolecule
bondUniqueId(const BondType &bond) constRWMolecule
buildSupercell(unsigned int a, unsigned int b, unsigned int c)RWMolecule
changed(unsigned int change)RWMoleculesignal
clearAtoms()RWMolecule
clearBonds()RWMolecule
color(Index atomId) constRWMolecule
conventionalizeCell(double cartTol=1e-5)RWMolecule
editUnitCell(Matrix3 cellMatrix, Core::CrystalTools::Options opts)RWMolecule
emitChanged(unsigned int change)RWMoleculeslot
endMergeMode()RWMolecule
fillUnitCell(unsigned short hallNumber, double cartTol=1e-5)RWMolecule
findAtomUniqueId(Index atomId) const (defined in RWMolecule)RWMoleculeprotected
findBondUniqueId(Index bondId) const (defined in RWMolecule)RWMoleculeprotected
forceVectors() constRWMolecule
formalCharge(Index atomId) constRWMolecule
hybridization(Index atomId) constRWMolecule
isInteractive() constRWMolecule
label(Index atomId) const (defined in RWMolecule)RWMolecule
layer(Index atomId) const (defined in RWMolecule)RWMolecule
m_interactive (defined in RWMolecule)RWMoleculeprotected
m_moleculeRWMoleculeprotected
m_undoStack (defined in RWMolecule)RWMoleculeprotected
modifyMolecule(const Molecule &newMolecule, Molecule::MoleculeChanges changes, const QString &undoText=QStringLiteral("Modify Molecule"))RWMolecule
molecule() (defined in RWMolecule)RWMolecule
molecule() const (defined in RWMolecule)RWMolecule
niggliReduceCell()RWMolecule
PersistentAtomType typedefRWMolecule
PersistentBondType typedefRWMolecule
reduceCellToAsymmetricUnit(unsigned short hallNumber, double cartTol=1e-5)RWMolecule
reduceCellToPrimitive(double cartTol=1e-5)RWMolecule
removeAtom(Index atomId)RWMolecule
removeAtom(const AtomType &atom)RWMolecule
removeBond(Index bondId)RWMolecule
removeBond(const BondType &bond)RWMolecule
removeBond(Index atom1, Index atom2)RWMolecule
removeBond(const AtomType &atom1, const AtomType &atom2)RWMolecule
removeUnitCell()RWMolecule
rotateCellToStandardOrientation()RWMolecule
RWMolecule(Molecule &mol, QObject *parent=nullptr)RWMoleculeexplicit
setAtomicNumber(Index atomId, unsigned char atomicNumber)RWMolecule
setAtomicNumbers(const Core::Array< unsigned char > &nums)RWMolecule
setAtomPosition2d(Index, const Vector2 &) (defined in RWMolecule)RWMolecule
setAtomPosition3d(Index atomId, const Vector3 &pos, const QString &undoText=tr("Change Atom Position"))RWMolecule
setAtomPositions3d(const Core::Array< Vector3 > &pos, const QString &undoText=tr("Change Atom Positions"))RWMolecule
setAtomSelected(Index atomId, bool selected, const QString &undoText=tr("Change Selection"))RWMolecule
setBondOrder(Index bondId, unsigned char order)RWMolecule
setBondOrders(const Core::Array< unsigned char > &orders)RWMolecule
setBondPair(Index bondId, const std::pair< Index, Index > &pair)RWMolecule
setBondPairs(const Core::Array< std::pair< Index, Index > > &pairs)RWMolecule
setCellVolume(double newVolume, Core::CrystalTools::Options options)RWMolecule
setColor(Index atomId, Vector3ub color)RWMolecule
setForceVector(Index atomId, const Vector3 &pos, const QString &undoText=QStringLiteral("Change Force Vectors"))RWMolecule
setFormalCharge(Index atomId, signed char charge)RWMolecule
setHybridization(Index atomId, Core::AtomHybridization hyb)RWMolecule
setInteractive(bool b)RWMolecule
setLabel(Index atomId, const std::string &label, const QString &undoText=tr("Change Atom Label")) (defined in RWMolecule)RWMolecule
setLayer(Index atomId, size_t layer) (defined in RWMolecule)RWMolecule
symmetrizeCell(double cartTol=1e-5)RWMolecule
undoStack()RWMolecule
undoStack() constRWMolecule
wrapAtomsToCell()RWMolecule
~RWMolecule() override (defined in RWMolecule)RWMolecule