Cross-term

This module defines Crossterm for dealing with crossterm information provided by using AtomGroup.setCrossterms() method.

class Crossterm(ag, indices, acsi=None)

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

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

getACSIndex()

Returns index of the coordinate set.

getAtomGroup()

Returns atom group.

getAtoms()

Returns crosstermd atoms.

getIndices()

Returns indices of crosstermd atoms.

getSize(radian=False)

Returns crossterm size.

getVectors()

Returns bond vectors that originate from the central atom.

setACSIndex(index)

Set the coordinate set at index active.