dihedral
index
dihedral.py

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
 
 
 
# This file was created automatically by SWIG.
# Don't modify this file, modify the SWIG interface instead.
# This file is compatible with both classic and new-style classes.

 
Classes
       
__builtin__.object
Dihedral
DihedralPtr

 
class Dihedral(__builtin__.object)
   
 

 
  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 0x2523050>

 
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)

 
class DihedralPtr(Dihedral)
   
 

 
 
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 0x2500fa0>

 
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)

 
Functions
       
help(...)

 

 
Data
        __package__ = None
pyXplorHelp = Type help() for interactive help, or help(object) for help about object.