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molframe_core/contract/
mod.rs

1//! What an analysis assumed, and what it is therefore worth.
2//!
3//! Every analysis takes a policy and returns a value plus its coverage, its
4//! status, its warnings and its provenance. Decisions that are otherwise silent
5//! defaults — which assembly, which model, which conformation, which identifier
6//! namespace, what to do about atoms that were never modelled — become data that
7//! can be inspected, fingerprinted, varied and published.
8
9mod analysis;
10mod policy;
11mod provenance;
12mod reexecution;
13mod serialise;
14
15pub use analysis::{Analysis, Assumption, AssumptionSource, Coverage, ImpactEstimate, Status};
16pub use policy::{
17    AlignmentPolicy, AltlocPolicy, AnalysisPolicy, AssemblyChoice, ContactDefinition,
18    EquivalencePolicy, Fingerprint, HydrogenPolicy, MissingPolicy, ModelChoice, Namespace,
19    PeriodicPolicy, PolicyField, Precision, ProfileId, RadiiSet, SymmetryPolicy, Tolerance,
20};
21pub use provenance::{
22    AlgorithmId, AnalysisParameters, DictionaryVersion, ParameterValue, Provenance, SourceRef,
23};
24pub use reexecution::{
25    Reexecution, ReexecutionEnvironment, ReexecutionError, reexecute_from_provenance,
26};