Package diffpy :: Package Structure :: Package expansion :: Module shapeUtils

Module shapeUtils

Utilities for making shapes.

Functions

findCenter(S)
Find the approximate center atom of a structure.

source code

Variables

__id__ = '$Id: shapeUtils.py 2980 2009-04-02 00:14:33Z juhas $'

Function Details

Find the approximate center atom of a structure.

The center of the structure is the atom closest to (0.5, 0.5, 0.5)

Returns the index of the atom.