Struct Provenance 

pub struct Provenance {
    pub molframe_version: &'static str,
    pub input_source: SourceRef,
    pub input_fingerprint: Option<Fingerprint>,
    pub policy: AnalysisPolicy,
    pub policy_fingerprint: Fingerprint,
    pub profile: Option<ProfileId>,
    pub algorithm: Option<AlgorithmId>,
    pub parameters: AnalysisParameters,
    pub schema_version: Option<DictionaryVersion>,
    pub component_version: Option<DictionaryVersion>,
    pub timestamp: Option<Box<str>>,
}

Everything needed to reproduce a result.

Examples

use molframe_core::contract::{AnalysisPolicy, Provenance, SourceRef};

let policy = AnalysisPolicy::default();
let record = Provenance::new(&policy).with_source(SourceRef::path("1abc.cif"));

assert_eq!(record.profile.map(|profile| profile.as_str()), Some("molframe-default-1.0"));
assert_eq!(record.policy_fingerprint, policy.fingerprint());

Fields

molframe_version: &'static str

The version of molframe that produced the result.

input_source: SourceRef

Where the input came from.

input_fingerprint: Option<Fingerprint>

A fingerprint of the input’s bytes, where they were read.

policy: AnalysisPolicy

The policy in force.

policy_fingerprint: Fingerprint

A fingerprint of that policy.

profile: Option<ProfileId>

The named profile, where the policy is one unaltered.

algorithm: Option<AlgorithmId>

Versioned algorithm, when the result is algorithm-specific.

parameters: AnalysisParameters

Sorted typed parameters that can change the result.

schema_version: Option<DictionaryVersion>

The version of the schema dictionary consulted.

component_version: Option<DictionaryVersion>

The version of the chemical component data consulted.

timestamp: Option<Box<str>>

When the analysis ran, if the caller asked for it recorded.

Excluded from every fingerprint.

Implementations

impl Provenance

pub fn new(policy: &AnalysisPolicy) -> Self

Starts a record under policy.

pub fn with_source(self, source: SourceRef) -> Self

Records where the input came from.

pub const fn with_input_fingerprint(self, fingerprint: Fingerprint) -> Self

Records a fingerprint of the input’s bytes.

pub fn with_timestamp(self, timestamp: impl Into<Box<str>>) -> Self

Records when the analysis ran.

pub fn with_algorithm(self, algorithm: AlgorithmId) -> Self

Records the versioned algorithm used by this analysis.

pub fn with_parameter( self, name: impl Into<Box<str>>, value: ParameterValue, ) -> Self

Records or replaces one result-affecting parameter.

pub fn fingerprint(&self) -> Fingerprint

A fingerprint of everything that affects the result.

Two runs over the same input under the same policy agree here whatever the clock said, which is what makes the value a property of the result rather than of the occasion.

impl Provenance

pub fn to_json(&self) -> String

Serialises the complete record as deterministic JSON.

Keys follow a fixed order and every policy field is named explicitly. The result is independent of map iteration order.

pub fn to_mmcif(&self) -> String

Serialises the complete record as a standalone mmCIF data block.

The two-column category is deliberately lossless and extensible: older readers can preserve fields they do not interpret.

Trait Implementations

impl Clone for Provenance

fn clone(&self) -> Self

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for Provenance

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.