molframe-core 0.2.0

Core types, storage and analysis contracts for molframe
Documentation 
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//! What an analysis assumed, and what it is therefore worth.
//!
//! Every analysis takes a policy and returns a value plus its coverage, its
//! status, its warnings and its provenance. Decisions that are otherwise silent
//! defaults — which assembly, which model, which conformation, which identifier
//! namespace, what to do about atoms that were never modelled — become data that
//! can be inspected, fingerprinted, varied and published.

mod analysis;
mod policy;
mod provenance;
mod reexecution;
mod serialise;

pub use analysis::{Analysis, Assumption, AssumptionSource, Coverage, ImpactEstimate, Status};
pub use policy::{
    AlignmentPolicy, AltlocPolicy, AnalysisPolicy, AssemblyChoice, ContactDefinition,
    EquivalencePolicy, Fingerprint, HydrogenPolicy, MissingPolicy, ModelChoice, Namespace,
    PeriodicPolicy, PolicyField, Precision, ProfileId, RadiiSet, SymmetryPolicy, Tolerance,
};
pub use provenance::{
    AlgorithmId, AnalysisParameters, DictionaryVersion, ParameterValue, Provenance, SourceRef,
};
pub use reexecution::{
    Reexecution, ReexecutionEnvironment, ReexecutionError, reexecute_from_provenance,
};