Class ElectronConfiguration

    core/chemical/ElectronConfiguration.hh:68

    C++ signature :
        std::vector<std::string, std::allocator<std::string> > AngularMomentumQuantumNumber_strings()

Returns: std_vector_string :

    core/chemical/ElectronConfiguration.hh:57

    C++ signature :
        std::vector<std::string, std::allocator<std::string> > PrincipalQuantumNumber_strings()

Returns: std_vector_string :

__call__( (ElectronConfiguration)arg1, (PrincipalQuantumNumber)PRINCIPAL_QUANTUM_NUMBER, (AngularMomentumQuantumNumber)ANGULAR_MOMENTUM_QUANTUM_NUMBER) -> int :
    ////////////
    ////////////
    

    C++ signature :
        unsigned long __call__(core::chemical::ElectronConfiguration {lvalue},core::chemical::ElectronConfiguration::PrincipalQuantumNumber,core::chemical::ElectronConfiguration::AngularMomentumQuantumNumber)

__call__( (ElectronConfiguration)arg1, (AngularMomentumQuantumNumber)ANGULAR_MOMENTUM_QUANTUM_NUMBER) -> int :
    core/chemical/ElectronConfiguration.hh:207

    C++ signature :
        unsigned long __call__(core::chemical::ElectronConfiguration {lvalue},core::chemical::ElectronConfiguration::AngularMomentumQuantumNumber)

__init__( (object)arg1) -> None :

    C++ signature :
        void __init__(_object*)

__init__( (object)arg1, (ElectronConfiguration)) -> None :
    /////////////////////////////////////////////////////////////////////////////////////////////////////////////////
    /////////////////////////////////////////////////////////////////////////////////////////////////////////////////
    

    C++ signature :
        void __init__(_object*,core::chemical::ElectronConfiguration)

__init__( (object)arg1, (int)VALENCE_ELECTRONS_SP, (int)VALENCE_ELECTRONS_SPD, (int)NUMBER_ELECTRONS_1S, (int)NUMBER_ELECTRONS_1P, (int)NUMBER_ELECTRONS_1D, (int)NUMBER_ELECTRONS_1F, (int)NUMBER_ELECTRONS_2S, (int)NUMBER_ELECTRONS_2P, (int)NUMBER_ELECTRONS_2D, (int)NUMBER_ELECTRONS_2F, (int)NUMBER_ELECTRONS_3S, (int)NUMBER_ELECTRONS_3P, (int)NUMBER_ELECTRONS_3D, (int)NUMBER_ELECTRONS_3F, (int)NUMBER_ELECTRONS_4S, (int)NUMBER_ELECTRONS_4P, (int)NUMBER_ELECTRONS_4D, (int)NUMBER_ELECTRONS_4F, (int)NUMBER_ELECTRONS_5S, (int)NUMBER_ELECTRONS_5P, (int)NUMBER_ELECTRONS_5D, (int)NUMBER_ELECTRONS_5F, (int)NUMBER_ELECTRONS_6S, (int)NUMBER_ELECTRONS_6P, (int)NUMBER_ELECTRONS_6D, (int)NUMBER_ELECTRONS_6F, (int)NUMBER_ELECTRONS_7S, (int)NUMBER_ELECTRONS_7P, (int)NUMBER_ELECTRONS_7D, (int)NUMBER_ELECTRONS_7F) -> None :
    core/chemical/ElectronConfiguration.hh:144

    C++ signature :
        void __init__(_object*,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long)

Overrides: object.__init__

helper for pickle

Overrides: object.__reduce__

(inherited documentation)

__str__( (ElectronConfiguration)arg1) -> object :

    C++ signature :
        _object* __str__(core::chemical::ElectronConfiguration {lvalue})

Overrides: object.__str__

get_angular_momentum_quantum_number( (str)STR) -> AngularMomentumQuantumNumber :
    core/chemical/ElectronConfiguration.hh:88

    C++ signature :
        core::chemical::ElectronConfiguration::AngularMomentumQuantumNumber get_angular_momentum_quantum_number(std::string)

get_descriptor( (PrincipalQuantumNumber)NUM) -> str :
    core/chemical/ElectronConfiguration.hh:73

    C++ signature :
        std::string get_descriptor(core::chemical::ElectronConfiguration::PrincipalQuantumNumber)

get_descriptor( (AngularMomentumQuantumNumber)NUM) -> str :
    core/chemical/ElectronConfiguration.hh:83

    C++ signature :
        std::string get_descriptor(core::chemical::ElectronConfiguration::AngularMomentumQuantumNumber)

get_principal_quantum_number( (str)STR) -> PrincipalQuantumNumber :
    core/chemical/ElectronConfiguration.hh:78

    C++ signature :
        core::chemical::ElectronConfiguration::PrincipalQuantumNumber get_principal_quantum_number(std::string)

max_valence_electrons_sp( (ElectronConfiguration)arg1) -> int :
    core/chemical/ElectronConfiguration.hh:179

    C++ signature :
        unsigned long max_valence_electrons_sp(core::chemical::ElectronConfiguration {lvalue})

read( (ElectronConfiguration)arg1, (std_istream)ISTREAM) -> std_istream :
    ///////////////////
    ///////////////////
    

    C++ signature :
        std::istream {lvalue} read(core::chemical::ElectronConfiguration {lvalue},std::istream {lvalue})

unpaired_valence_electrons_sp( (ElectronConfiguration)arg1) -> int :
    core/chemical/ElectronConfiguration.hh:164

    C++ signature :
        unsigned long unpaired_valence_electrons_sp(core::chemical::ElectronConfiguration {lvalue})

valence_electrons_p( (ElectronConfiguration)arg1) -> int :
    core/chemical/ElectronConfiguration.hh:170

    C++ signature :
        unsigned long valence_electrons_p(core::chemical::ElectronConfiguration {lvalue})

valence_electrons_s( (ElectronConfiguration)arg1) -> int :
    core/chemical/ElectronConfiguration.hh:158

    C++ signature :
        unsigned long valence_electrons_s(core::chemical::ElectronConfiguration {lvalue})

valence_electrons_sp( (ElectronConfiguration)arg1) -> int :
    core/chemical/ElectronConfiguration.hh:176

    C++ signature :
        unsigned long valence_electrons_sp(core::chemical::ElectronConfiguration {lvalue})

valence_electrons_spd( (ElectronConfiguration)arg1) -> int :
    core/chemical/ElectronConfiguration.hh:182

    C++ signature :
        unsigned long valence_electrons_spd(core::chemical::ElectronConfiguration {lvalue})

write( (ElectronConfiguration)arg1, (OStream)OSTREAM) -> OStream :
    core/chemical/ElectronConfiguration.hh:227

    C++ signature :
        std::ostream {lvalue} write(core::chemical::ElectronConfiguration {lvalue},std::ostream {lvalue})

MaxAngularMomentumQuantumNumber

Value:

rosetta.core.chemical._core_chemical_.AngularMomentumQuantumNumber.Max AngularMomentumQuantumNumber

MaxPrincipleQuantumNumber

Value:

rosetta.core.chemical._core_chemical_.PrincipalQuantumNumber.MaxPrinci pleQuantumNumber

e_1

Value:

rosetta.core.chemical._core_chemical_.PrincipalQuantumNumber.e_1

e_2

Value:

rosetta.core.chemical._core_chemical_.PrincipalQuantumNumber.e_2

e_3

Value:

rosetta.core.chemical._core_chemical_.PrincipalQuantumNumber.e_3

e_4

Value:

rosetta.core.chemical._core_chemical_.PrincipalQuantumNumber.e_4

e_5

Value:

rosetta.core.chemical._core_chemical_.PrincipalQuantumNumber.e_5

e_6

Value:

rosetta.core.chemical._core_chemical_.PrincipalQuantumNumber.e_6

e_7

Value:

rosetta.core.chemical._core_chemical_.PrincipalQuantumNumber.e_7

e_D

Value:

rosetta.core.chemical._core_chemical_.AngularMomentumQuantumNumber.e_D

e_F

Value:

rosetta.core.chemical._core_chemical_.AngularMomentumQuantumNumber.e_F

e_P

Value:

rosetta.core.chemical._core_chemical_.AngularMomentumQuantumNumber.e_P

e_S

Value:

rosetta.core.chemical._core_chemical_.AngularMomentumQuantumNumber.e_S