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object --+ | ??.instance --+ | 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) |
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>) |
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) |
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) |
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) |
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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