particle module

This module aims to calculate scattered images from a given shape by using the Multi-slice Fourier transform (MSFT) method.

Requirement

This module has dependencies on the following modules.

• Python (>= 3.4)
  • Probably this module is available on Python 2.7 (not tested).
• NumPy (>= 1.11.2)
• Matplotlib (>= 1.5.1)
  • mpl_toolkits.mplot3d
• datetime
• importlib

If you want to do calculation with pyfftw or pycuda, the following modules are also required.

• pyfftw (for pyfftw)
• multiprocessing (for pyfftw)
• pycuda (for pycuda)
• skcuda (for pycuda)

Installation

Currently, installing this module requires the following steps:

1. Download this module as a zip (or tar.gz) file.
2. Unzip the file to to any directory.
3. Run python setup.py install at the directory.

Hierarchical structure of modules

/particle
    /core: Core modules.
        ensemble.py     : Class for multi-particle system.
        mathfuntions.py : functions related to calculation.
        particle.py     : Class for one-particle system. (**deprecated from v1.2**)
        slicefft.py     : Class for MSFT.
        space.py        : Class for meshgrids in space.
    /shape: Shape classes. Refer to the section "Shapes".
        shapeslice.py   : functions related to slicing.

Shapes

The following shapes are available:

• cube
• cuboctahedron
• dodecahedron (under construction)
• hailstone / hailstone_with_sphere (deprecated from 1.2)
  • The primary purpose of hailstone_with_sphere is to randomly generate a hail model with daughter particles centered on the surface of the mother particle.
  • hailstone generates a hail model using arguments (list of) of information on types, sizes and positions of a mother particle and daughter particles.
• icosahedron
• polyhedron
• sphere
• spheroid
• wulffpolyhedron

How to add a shape class

1. Add a description of the required shape (myshape) to the /shape directory with reference to other classes.
2. Add the following two sentences to __init __. Py in the /shape directory.

• from . import myshape
• from .myshape import *

3. Add an elif statement to the particle .__ MakeParticle function so that it can be called from the particle class.

History of update

• 1.0 : first commission
• 1.0.1 : fix bugs
• 1.0.2 : fix bugs
• 1.1 : update documentation, add density-weighting mode
• 1.1.1 : fix bugs