Improper

This module defines Improper for dealing with improper information provided by using AtomGroup.setImpropers() method.

class Improper(ag, indices, acsi=None)

A pointer class for improperd atoms. Following built-in functions are customized for this class:

• len() returns improper length, i.e. getSize()
• iter() yields Atom instances

getACSIndex()

Returns index of the coordinate set.

getAtomGroup()

Returns atom group.

getAtoms()

Returns improperd atoms.

getIndices()

Returns indices of improperd atoms.

getSize()

Returns improper size.

getVectors()

Returns bond vectors that originate from the central atom.

setACSIndex(index)

Set the coordinate set at index active.