geddes 0.4.0

A Python library for parsing XRD pattern files

Geddes

A Rust XRD pattern parser with Python and Node.js bindings. Supports:

• .raw (GSAS text or Bruker binary)
• .rasx (Rigaku Zip archive)
• .xrdml (Panalytical XML)
• .xy / .xye (Space-separated ASCII)
• .csv (Comma-separated values)

Rust Usage

Load from a file path:

use geddes::read;

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

Load from in-memory bytes (filename is used to infer the format):

use std::fs;

use geddes::read_bytes;

fn main() {
    let data = fs::read("tests/data/xy/sample.xy").unwrap();
    let pattern = read_bytes(&data, "sample.xy").unwrap();
    println!("{} {}", pattern.x.len(), pattern.y.len());
}

Python Usage

Load from a file path:

import geddes

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

Load from in-memory bytes (filename is used to infer the format):

import geddes

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

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

Node.js Usage

Load from a file path:

const geddes = require('@jcwang587/geddes')

const pattern = geddes.read('tests/data/xy/sample.xy')
console.log(pattern.x.length, pattern.y.length)

Load from in-memory bytes (filename is used to infer the format):

const fs = require('node:fs')
const geddes = require('@jcwang587/geddes')

const bytes = fs.readFileSync('tests/data/xy/sample.xy')
const pattern = geddes.readBytes(bytes, 'sample.xy')
console.log(pattern.x.length, pattern.y.length)

License

MIT