geddes 0.1.4b0

A Python library for parsing XRD pattern files

Geddes

A Rust library to parse XRD pattern files. Supports:

• .xy / .xye (ASCII, space separated)
• .rasx (Rigaku, Zip containing Profile text)
• .raw (GSAS format, text based)
• .csv (comma separated values)

Usage

use geddes::load_file;

fn main() {
    let pattern = load_file("tests/data/xy/sample.xy").unwrap();
    println!("Loaded {} points", pattern.x.len());
}

Python Usage

This crate ships Python bindings via pyo3/maturin.

From the repo root:

pip install maturin
maturin develop

Then in Python:

import geddes

pattern = geddes.load_file("tests/data/xy/sample.xy")
print(len(pattern.x), len(pattern.y))

Loading from bytes:

import geddes

with open("tests/data/xy/sample.xy", "rb") as f:
    data = f.read()

pattern = geddes.load_bytes(data, "sample.xy")
print(len(pattern.x))

License

MIT