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OBOrbitalData Member List

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, unsigned int alphaHOMO) | OBOrbitalData |
LoadBetaOrbitals(std::vector< double > energies, std::vector< std::string > symmetries, unsigned int betaHOMO) | OBOrbitalData |
LoadClosedShellOrbitals(std::vector< double > energies, std::vector< std::string > symmetries, unsigned 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