Tools for diffraction simulation of s3dxrd type experiments.
Project description
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
Since xrd_simulator depends on pygalmesh it is neccessary to first install the CGAL and EIGEN packages.
Linux
On Linux:
sudo apt install libcgal-dev libeigen3-dev
MacOS
On MacOS with homebrew:
brew install cgal eigen
Windows
On Windows…:
...
Pip installation
Once CGAL and EIGEN is installed xrd_simulator is available via the pypi channel:
pip install xrd_simulator
Anaconda installation
xrd_simulator is not yet available as a conda package.
Source installation
you may also build form the source. In that case replace the pip instal step above by:
git clone https://github.com/AxelHenningsson/xrd_simulator.git
next, go to the just downloaded directory:
cd xrd_simulator
and install:
python setup.py install
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Hashes for xrd_simulator-0.0.2-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 11e0301abbc93fd932782043a8bebeecde72821a2a4deb8a5172ab9c32b8cabf |
|
MD5 | f846ab0d4252e7358ca9edc56c886193 |
|
BLAKE2b-256 | ea363a9b1a343441478cad11191750caca9e671dca38b8767230e203a57dc6a0 |