This is the complete list of members for
OBOrbitalData, including all inherited members.
_alphaHOMO | OBOrbitalData | [protected] |
_alphaOrbitals | OBOrbitalData | [protected] |
_attr | OBGenericData | [protected] |
_betaHOMO | OBOrbitalData | [protected] |
_betaOrbitals | OBOrbitalData | [protected] |
_openShell | OBOrbitalData | [protected] |
_source | OBGenericData | [protected] |
_type | OBGenericData | [protected] |
Clone(OBBase *) const | OBOrbitalData | [inline, virtual] |
GetAlphaHOMO() | OBOrbitalData | [inline] |
GetAlphaOrbitals() | OBOrbitalData | [inline] |
GetAttribute() const | OBGenericData | [inline, virtual] |
GetBetaHOMO() | OBOrbitalData | [inline] |
GetBetaOrbitals() | OBOrbitalData | [inline] |
GetDataType() const | OBGenericData | [inline] |
GetOrigin() const | OBGenericData | [inline, virtual] |
GetValue() const | OBGenericData | [inline, virtual] |
IsOpenShell() | OBOrbitalData | [inline] |
LoadAlphaOrbitals(std::vector< double > energies, std::vector< std::string > symmetries, int alphaHOMO) | OBOrbitalData | |
LoadBetaOrbitals(std::vector< double > energies, std::vector< std::string > symmetries, int betaHOMO) | OBOrbitalData | |
LoadClosedShellOrbitals(std::vector< double > energies, std::vector< std::string > symmetries, int alphaHOMO) | OBOrbitalData | |
OBGenericData(const std::string attr="undefined", const unsigned int type=OBGenericDataType::UndefinedData, const DataOrigin source=any) | OBGenericData | |
OBOrbitalData() | OBOrbitalData | [inline] |
operator=(const OBOrbitalData &) | OBOrbitalData | |
SetAlphaOrbitals(std::vector< OBOrbital > orbitalList) | OBOrbitalData | [inline] |
SetAttribute(const std::string &v) | OBGenericData | [inline] |
SetBetaOrbitals(std::vector< OBOrbital > orbitalList) | OBOrbitalData | [inline] |
SetHOMO(int alpha, int beta=0) | OBOrbitalData | [inline] |
SetOpenShell(bool openShell) | OBOrbitalData | [inline] |
SetOrigin(const DataOrigin s) | OBGenericData | [inline] |
~OBGenericData() | OBGenericData | [inline, virtual] |
~OBOrbitalData() | OBOrbitalData | [inline, virtual] |