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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 *
  1. 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