Loading...
Searching...
No Matches
OBUnitCell Member List

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

_attr | OBGenericData | protected
_lattice | OBUnitCell | protected
_mOrient | OBUnitCell | protected
_mOrtho | OBUnitCell | protected
_offset | OBUnitCell | protected
_source | OBGenericData | protected
_spaceGroup | OBUnitCell | protected
_spaceGroupName | OBUnitCell | protected
_type | OBGenericData | protected
CartesianToFractional(vector3 cart) | OBUnitCell |
CartesianToFractional(vector3 cart) const | OBUnitCell |
Clone(OBBase *) const | OBUnitCell | inline virtual
Cubic enum value | OBUnitCell |
FillUnitCell(OBMol *) | OBUnitCell |
FractionalToCartesian(vector3 frac) | OBUnitCell |
FractionalToCartesian(vector3 frac) const | OBUnitCell |
GetA() | OBUnitCell |
GetA() const | OBUnitCell |
GetAlpha() | OBUnitCell |
GetAlpha() const | OBUnitCell |
GetAttribute() const | OBGenericData | inline virtual
GetB() | OBUnitCell |
GetB() const | OBUnitCell |
GetBeta() | OBUnitCell |
GetBeta() const | OBUnitCell |
GetC() | OBUnitCell |
GetC() const | OBUnitCell |
GetCellMatrix() | OBUnitCell |
GetCellMatrix() const | OBUnitCell |
GetCellVectors() | OBUnitCell |
GetCellVectors() const | OBUnitCell |
GetCellVolume() | OBUnitCell |
GetCellVolume() const | OBUnitCell |
GetDataType() const | OBGenericData | inline
GetFractionalMatrix() | OBUnitCell |
GetFractionalMatrix() const | OBUnitCell |
GetGamma() | OBUnitCell |
GetGamma() const | OBUnitCell |
GetLatticeType(int spacegroup) | OBUnitCell |
GetLatticeType(int spacegroup) const | OBUnitCell |
GetLatticeType() | OBUnitCell |
GetLatticeType() const | OBUnitCell |
GetOffset() | OBUnitCell |
GetOffset() const | OBUnitCell |
GetOrientationMatrix() | OBUnitCell |
GetOrientationMatrix() const | OBUnitCell |
GetOrigin() const | OBGenericData | inline virtual
GetOrthoMatrix() | OBUnitCell |
GetOrthoMatrix() const | OBUnitCell |
GetSpaceGroup() | OBUnitCell | inline
GetSpaceGroup() const | OBUnitCell | inline
GetSpaceGroupName() | OBUnitCell | inline
GetSpaceGroupName() const | OBUnitCell | inline
GetSpaceGroupNumber(std::string name="") | OBUnitCell |
GetSpaceGroupNumber(std::string name="") const | OBUnitCell |
GetValue() const | OBGenericData | inline virtual
Hexagonal enum value | OBUnitCell |
LatticeType enum name | OBUnitCell |
MinimumImageCartesian(vector3 cart) | OBUnitCell |
MinimumImageCartesian(vector3 cart) const | OBUnitCell |
MinimumImageFractional(vector3 frac) | OBUnitCell |
MinimumImageFractional(vector3 frac) const | OBUnitCell |
Monoclinic enum value | OBUnitCell |
OBGenericData(const std::string attr="undefined", const unsigned int type=OBGenericDataType::UndefinedData, const DataOrigin source=any) | OBGenericData |
OBUnitCell() | OBUnitCell |
OBUnitCell(const OBUnitCell &) | OBUnitCell |
operator=(const OBUnitCell &) | OBUnitCell |
Orthorhombic enum value | OBUnitCell |
Rhombohedral enum value | OBUnitCell |
SetAttribute(const std::string &v) | OBGenericData | inline
SetData(const double a, const double b, const double c, const double alpha, const double beta, const double gamma) | OBUnitCell |
SetData(const vector3 v1, const vector3 v2, const vector3 v3) | OBUnitCell |
SetData(const matrix3x3 m) | OBUnitCell |
SetLatticeType(const LatticeType lt) | OBUnitCell | inline
SetOffset(const vector3 v1) | OBUnitCell |
SetOrigin(const DataOrigin s) | OBGenericData | inline
SetSpaceGroup(const SpaceGroup *sg) | OBUnitCell | inline
SetSpaceGroup(const std::string sg) | OBUnitCell | inline
SetSpaceGroup(const int sg) | OBUnitCell | inline
Tetragonal enum value | OBUnitCell |
Triclinic enum value | OBUnitCell |
Undefined enum value | OBUnitCell |
UnwrapCartesianNear(vector3 new_loc, vector3 ref_loc) | OBUnitCell |
UnwrapCartesianNear(vector3 new_loc, vector3 ref_loc) const | OBUnitCell |
UnwrapFractionalNear(vector3 new_loc, vector3 ref_loc) | OBUnitCell |
UnwrapFractionalNear(vector3 new_loc, vector3 ref_loc) const | OBUnitCell |
WrapCartesianCoordinate(vector3 cart) | OBUnitCell |
WrapCartesianCoordinate(vector3 cart) const | OBUnitCell |
WrapFractionalCoordinate(vector3 frac) | OBUnitCell |
WrapFractionalCoordinate(vector3 frac) const | OBUnitCell |
~OBGenericData() | OBGenericData | inline virtual
~OBUnitCell() | OBUnitCell | inline