helper to display torsion angle values.
constructor:
Dihedral(as0,as1,as2,as3)
as[0-3] are atom.Atom objects, or strings or <atomSel>.AtomSels
containing single atoms
methods:
value():
return the value of the dihedral angle (in radians)
derivs():
return the value of the gradient of the dihedral angle for the four
atoms. The return value is a tuple:
(dPhidAtom0,dPhidAtom1,dPhidAtom2,dPhidAtom3)
atom0(), atom1(), atom2(), atom3():
return the requested atom.
The dihedral angle is the angle about atoms a2 and a3 below:
a3
/
a1-a2
/
a0
Classes |
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- __builtin__.object
-
- Dihedral
-
- DihedralPtr
class Dihedral(__builtin__.object) |
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Methods defined here:
- __del__(self, destroy=<built-in function delete_Dihedral>)
- __getattr__ lambda self, name
- __init__(self, *args)
- __repr__(self)
- __setattr__ lambda self, name, value
- atom0(*args)
- atom1(*args)
- atom2(*args)
- atom3(*args)
- derivs(*args)
- help(*args)
- value(*args)
Data and other attributes defined here:
- __dict__ = <dictproxy object at 0xee9e18>
- dictionary for instance variables (if defined)
- __swig_getmethods__ = {}
- __swig_setmethods__ = {}
- __weakref__ = <attribute '__weakref__' of 'Dihedral' objects>
- list of weak references to the object (if defined)
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class DihedralPtr(Dihedral) |
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- Method resolution order:
- DihedralPtr
- Dihedral
- __builtin__.object
Methods defined here:
- __init__(self, this)
Methods inherited from Dihedral:
- __del__(self, destroy=<built-in function delete_Dihedral>)
- __getattr__ lambda self, name
- __repr__(self)
- __setattr__ lambda self, name, value
- atom0(*args)
- atom1(*args)
- atom2(*args)
- atom3(*args)
- derivs(*args)
- help(*args)
- value(*args)
Data and other attributes inherited from Dihedral:
- __dict__ = <dictproxy object at 0xee9868>
- dictionary for instance variables (if defined)
- __swig_getmethods__ = {}
- __swig_setmethods__ = {}
- __weakref__ = <attribute '__weakref__' of 'Dihedral' objects>
- list of weak references to the object (if defined)
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