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object --+
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??.instance --+
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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})
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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})
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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})
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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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