xrd-simulator 0.0.3

Tools for diffraction simulation of s3dxrd type experiments.

Welcome to the xrd_simulator

This is a package for simulating X-ray Difraction from polycrystals

• Defines polycrystals as a mesh of tetrahedral single crystals.

• Simulates diffraction based on structure factors and a discretized detector array.

Installation

Prerequisites

xrd_simulator depends on pygalmesh which in turn depends in the external CGAL and EIGEN packages. It is therefore neccessary, prior to installing xrd_simulator, to either install these packages manually, as documented here, or to install pygalmesh using conda as:

conda install -c conda-forge pygalmesh

the later should work identically across OS systems.

Pip installation

Once pygalmesh is available xrd_simulator can be installed as:

pip install xrd-simulator

Source installation

Naturally one can also install from the sources:

git clone https://github.com/AxelHenningsson/xrd_simulator.git
cd xrd_simulator
python setup.py install

Anaconda installation

Unfortunately xrd_simulator is not yet available for pure conda installation.