Hello-world API

version() and cell_volume() are implemented in all four surfaces and are tested against the same vectors in tests/vectors/hello_world.json.

Version

rust

let version: &str = xtalforge::core::version();

bash

xtalforge version
xtalforge --json version

python

import xtalforge
version: str = xtalforge.version()

js

import { version } from "xtalforge-wasm";
const value = version();

Cell volume

cell_volume(a, b, c, alpha, beta, gamma) takes lengths in Angstrom and angles in degrees and returns cubic Angstrom.

rust

let volume = xtalforge::core::cell_volume(3.0, 4.0, 5.0, 60.0, 70.0, 80.0)?;

bash

xtalforge cell-volume 3 4 5 60 70 80
xtalforge --json cell-volume 3 4 5 60 70 80

python

volume = xtalforge.cell_volume(3.0, 4.0, 5.0, 60.0, 70.0, 80.0)

js

import { cell_volume } from "xtalforge-wasm";
const volume = cell_volume(3, 4, 5, 60, 70, 80);

Errors

Every surface reports the stable invalid_input code for a non-positive length, an angle outside (0, 180) degrees, a non-finite value, or a degenerate cell.

• Rust: Err(xtalforge::core::Error::InvalidInput(..)), error.code().
• CLI: exit code 3 and, with --json, an object under error.
• Python: xtalforge.InputError, a subclass of xtalforge.XtalforgeError; args[0] is the code and args[1] the message.
• WASM: a JavaScript Error whose code property is invalid_input.