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object --+ | ??.instance --+ | Atom
This atom class differs from the chameical::Atom, AtomType, and AtomTypeSet classes in that it only contains the information about the xyz coordinates. In the future, it might contain information about such things as B-factor. This information is generally initialized and set by conformation::Residue. chemical::Atoms are stored in chemical::ResidueType (within its ResidueGraph); conformation::Atoms are stored in conformation::Residue
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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, (Atom)) -> None : This atom class differs from the chameical::Atom, AtomType, and AtomTypeSet classes in that it only contains the information about the xyz coordinates. In the future, it might contain information about such things as B-factor. This information is generally initialized and set by conformation::Residue. chemical::Atoms are stored in chemical::ResidueType (within its ResidueGraph); conformation::Atoms are stored in conformation::Residue C++ signature : void __init__(_object*,core::conformation::Atom) __init__( (object)arg1, (int)type_in, (int)mm_type_in) -> None : constructor with an atom type number C++ signature : void __init__(_object*,unsigned short,unsigned short) __init__( (object)arg1, (xyzVector_Real)xyz_in, (int)type_in, (int)mm_type_in) -> None : constructor with xyz and an atom type number C++ signature : void __init__(_object*,numeric::xyzVector<double>,unsigned short,unsigned short)
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helper for pickle
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__str__( (Atom)arg1) -> object : C++ signature : _object* __str__(core::conformation::Atom {lvalue})
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mm_type( (Atom)arg1, (int)mm_type_in) -> None : set the mm atom type number C++ signature : void mm_type(core::conformation::Atom {lvalue},unsigned short) mm_type( (Atom)arg1) -> int : get the mm atom type number C++ signature : unsigned short mm_type(core::conformation::Atom {lvalue}) |
show( (Atom)arg1, (OStream)output) -> None : Generate string representation of conformation::Atom for debugging purposes. C++ signature : void show(core::conformation::Atom {lvalue},std::ostream {lvalue}) |
type( (Atom)arg1, (int)type_in) -> None : set the atom type number C++ signature : void type(core::conformation::Atom {lvalue},unsigned short) type( (Atom)arg1) -> int : Returns the AtomType number C++ signature : unsigned short type(core::conformation::Atom {lvalue}) |
xyz( (Atom)arg1) -> xyzVector_Real : Returns the atom coordinates as an xyzVector C++ signature : numeric::xyzVector<double> xyz(core::conformation::Atom {lvalue}) xyz( (Atom)arg1, (xyzVector_Real)xyz_in) -> None : Sets the atom coordinates using an xyzVector C++ signature : void xyz(core::conformation::Atom {lvalue},numeric::xyzVector<double>) |
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