mod signature

module signature

Canonical identity for systems that may share a basin catalog.

Types

type SignatureDigest

SHA-256 digest of a canonical system signature.

Structs and Unions

struct DescriptorSignature

Descriptor schema used for basin identity and distance.

schema: String

Stable schema name.

version: u32

Schema version.

hyperparameters: BTreeMap<String, String>

Canonical textual hyperparameters with physical units where required.

species_channels: Vec<u32>

Ordered species channels used by the descriptor.

struct EngineSignature

Potential engine and immutable external inputs.

kind: String

Stable engine family name.

config_digest: SignatureDigest

Digest of the complete engine configuration.

external_inputs: BTreeMap<String, SignatureDigest>

Named immutable files or parameter sets consumed by the engine.

struct SystemSignature

Complete identity of a search system and its catalog semantics.

atomic_numbers: Vec<u32>

Atomic numbers in coordinate order.

coordinate_dim: u64

Declared length of the Cartesian coordinate vector.

group_labels: Vec<u32>

Group label for each atom.

group_schema: String

Stable group-constraint schema name and version.

frozen_mask: Vec<bool>

Frozen-atom mask in coordinate order.

cell: Option<[f64; 9]>

Row-major cell matrix, or no cell for a nonperiodic finite system.

periodic: [bool; 3]

Periodicity on each cell axis.

length_scale: f64

Coordinate value represented by one canonical length unit.

energy_scale: f64

Energy value represented by one canonical energy unit.

engine: EngineSignature

Engine identity.

descriptor: DescriptorSignature

Descriptor identity.

validation_schema_version: u32

Candidate-validation contract version.

Implementations

impl SystemSignature

Functions

fn canonical_bytes(&self) -> Vec<u8>

Encode every identity field into the versioned canonical wire form.

fn digest(&self) -> SignatureDigest

Hash the canonical wire form with SHA-256.

Traits implemented

impl PartialEq for SystemSignature
impl Eq for SystemSignature