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object --+
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??.instance --+
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Orbital
basic chemical atom name, element, certain properties and parameters from .params file
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Inherited from Inherited from |
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__instance_size__ = 32
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Inherited from |
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__init__( (object)arg1) -> None :
C++ signature :
void __init__(_object*)
__init__( (object)arg1, (str)name_in, (int)orbital_type_index, (xyzVector_Real)xyz) -> None :
core/chemical/Orbital.hh:70
C++ signature :
void __init__(_object*,std::string,unsigned long,numeric::xyzVector<double>)
__init__( (object)arg1, (Orbital)src) -> None :
core/chemical/Orbital.hh:78
C++ signature :
void __init__(_object*,core::chemical::Orbital)
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helper for pickle
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__str__( (Orbital)arg1) -> object :
C++ signature :
_object* __str__(core::chemical::Orbital {lvalue})
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icoor( (Orbital)arg1) -> ICoorOrbitalData :
core/chemical/Orbital.hh:97
C++ signature :
core::chemical::orbitals::ICoorOrbitalData icoor(core::chemical::Orbital {lvalue})
icoor( (Orbital)arg1) -> ICoorOrbitalData :
core/chemical/Orbital.hh:100
C++ signature :
core::chemical::orbitals::ICoorOrbitalData {lvalue} icoor(core::chemical::Orbital {lvalue})
icoor( (Orbital)arg1, (ICoorOrbitalData)icoor) -> None :
core/chemical/Orbital.hh:106
C++ signature :
void icoor(core::chemical::Orbital {lvalue},core::chemical::orbitals::ICoorOrbitalData)
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ideal_xyz( (Orbital)arg1) -> xyzVector_Real :
core/chemical/Orbital.hh:96
C++ signature :
numeric::xyzVector<double> ideal_xyz(core::chemical::Orbital {lvalue})
ideal_xyz( (Orbital)arg1, (xyzVector_Real)xyz) -> None :
core/chemical/Orbital.hh:105
C++ signature :
void ideal_xyz(core::chemical::Orbital {lvalue},numeric::xyzVector<double>)
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name( (Orbital)arg1) -> str :
core/chemical/Orbital.hh:94
C++ signature :
std::string name(core::chemical::Orbital {lvalue})
name( (Orbital)arg1, (str)name) -> None :
core/chemical/Orbital.hh:103
C++ signature :
void name(core::chemical::Orbital {lvalue},std::string)
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new_icoor( (Orbital)arg1) -> ICoorOrbitalData :
core/chemical/Orbital.hh:98
C++ signature :
core::chemical::orbitals::ICoorOrbitalData new_icoor(core::chemical::Orbital {lvalue})
new_icoor( (Orbital)arg1) -> ICoorOrbitalData :
core/chemical/Orbital.hh:101
C++ signature :
core::chemical::orbitals::ICoorOrbitalData {lvalue} new_icoor(core::chemical::Orbital {lvalue})
new_icoor( (Orbital)arg1, (ICoorOrbitalData)new_icoor) -> None :
core/chemical/Orbital.hh:107
C++ signature :
void new_icoor(core::chemical::Orbital {lvalue},core::chemical::orbitals::ICoorOrbitalData)
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orbital_type_index( (Orbital)arg1) -> int :
core/chemical/Orbital.hh:95
C++ signature :
unsigned long orbital_type_index(core::chemical::Orbital {lvalue})
orbital_type_index( (Orbital)arg1, (int)atom_type_index) -> None :
core/chemical/Orbital.hh:104
C++ signature :
void orbital_type_index(core::chemical::Orbital {lvalue},unsigned long)
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print( (Orbital)arg1, (OStream)out) -> None :
core/chemical/Orbital.hh:87
C++ signature :
void print(core::chemical::Orbital {lvalue},std::ostream {lvalue})
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