xtalforge

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Core API ​

The xtalforge::core module is the source of truth for the other surfaces.

version() -> &'static str ​

Returns the workspace version. The Python package exposes the same value as xtalforge.__version__ and the WASM package as version().

cell_volume(a, b, c, alpha, beta, gamma) -> Result<f64, Error> ​

Lengths in Angstrom, angles in degrees, result in cubic Angstrom. See the hello-world page for the four surfaces and the shared vectors.

Error ​

One enum for the crate. code() returns a stable snake_case string and message() the human-readable form.

VariantCode
InvalidInputinvalid_input
DataCompressiondata_compression
DataChecksumdata_checksum
DataDigestdata_digest
DataJsondata_json
LimitExceededlimit_exceeded
Symmetrysymmetry

Data bundles ​

xtalforge_core::data loads compressed tables:

  • EmbeddedBundle::new(name, gzip, sha256) and bytes(): decompress once, verify the SHA-256 digest of the payload, cache the result.
  • JsonBundle<T>::new(bundle) and get(): decode the payload once into T.
  • load_external_gzip(name, gzip, sha256): runtime bytes for WASM and large databases.
  • load_external_json<T>(name, gzip, sha256): the same with JSON decoding.

The policy and the generator command are in the data guide.