Package rosetta :: Package core :: Package conformation :: Module _core_conformation_ :: Class Atom
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Class Atom

 object --+    
          |    
??.instance --+
              |
             Atom
Known Subclasses:

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

Instance Methods [hide private]
 
__init__(...)
__init__( (object)arg1) -> None :
 
__reduce__(...)
helper for pickle
 
__str__(...)
__str__( (Atom)arg1) -> object :
 
mm_type(...)
mm_type( (Atom)arg1, (int)mm_type_in) -> None : set the mm atom type number
 
show(...)
show( (Atom)arg1, (OStream)output) -> None : Generate string representation of conformation::Atom for debugging purposes.
 
type(...)
type( (Atom)arg1, (int)type_in) -> None : set the atom type number
 
xyz(...)
xyz( (Atom)arg1) -> xyzVector_Real : Returns the atom coordinates as an xyzVector

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __subclasshook__

Class Variables [hide private]
  __instance_size__ = 32
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(...)
(Constructor)

 

__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)

Overrides: object.__init__

__reduce__(...)

 

helper for pickle

Overrides: object.__reduce__
(inherited documentation)

__str__(...)
(Informal representation operator)

 

__str__( (Atom)arg1) -> object :

    C++ signature :
        _object* __str__(core::conformation::Atom {lvalue})

Overrides: object.__str__

mm_type(...)

 

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(...)

 

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(...)

 

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(...)

 

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>)