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SphereCutter Transform
Documentation for the SphereCutter transform
Transform: SphereCutter
| Author: | Karl Norby <knorby at uchicago dot edu> |
|---|---|
| Date: | Fri, 1 Sept 2006 |
| Category: | Computational Materials Science |
| Description: | Cleaves off atoms that are not in a sphere that a user specifies |
| Copyright: | pyXSD License |
Dependencies
- CellSizer Transform Library -Vector class -Atom class -BravaisLattice class
Other Information
SphereCutter is part of the pyXSD standard release
Standard Call
SphereCutter(rad, sphereCenter=None)
Arguments (detailed)
- rad : Number
- The radius of the sphere. The radius is in terms of the units used for the cartesian coordinates in the system.
- sphereCenter : Tuple (length=3)
- Optional, uses the cell center if not specified. Lets you specify the center of the sphere in cartesian coordinates. Looks like: (x, y, z) where x, y, and z are numbers.
Description
What It Does
Tests each atom to see if it is in the sphere that was specified. If it is not, that atom is deleted from the tree. The arguments must be made in whatever unit the cartesian system is in, so these numbers are not in terms of the vectors. There are a few other transforms which print out the cartesian coordinates for each atom. These can help users better understand the data. NOTE: when used with a large cell, SphereCutter can cause pyXSD to run longer than it normally does.
What it Returns
The tree with the same general structure as before, but with fewer atoms.