gugen 0.3.0

Explainable materials synthesis and process planning
Documentation 
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use crate::composition::Composition;
use crate::error::ProviderError;
use crate::precursor::{PrecursorCandidate, PrecursorSelection};
use crate::process::{ProcessPrecedent, RouteFamily};
use crate::reaction::{BalancedReaction, CompetingPhase, ReactionEnergy, ThermodynamicConditions};
use crate::route_suitability::SuitabilityFinding;
use crate::target::{PlanningConstraints, TargetSpecification};

/// Source of candidate precursor compounds for a target (AGENTS.md §8).
/// Core ships in-memory/JSON/fixture implementations only — no network
/// access lives in this crate (AGENTS.md §8, §25).
pub trait PrecursorCatalog {
    fn candidates_for(
        &self,
        target: &Composition,
        constraints: &PlanningConstraints,
    ) -> std::result::Result<Vec<PrecursorCandidate>, ProviderError>;
}

/// Source of reaction-energy estimates (AGENTS.md §8). Returning `Ok(None)`
/// means "no data available," which must not by itself reject a plan
/// (AGENTS.md §13, §14 — see `RejectionCode::ThermodynamicDataUnavailable`).
pub trait ThermodynamicProvider {
    fn reaction_energy(
        &self,
        reaction: &BalancedReaction,
        conditions: &ThermodynamicConditions,
    ) -> std::result::Result<Option<ReactionEnergy>, ProviderError>;

    /// Formation energies of phases that might compete with `target` for
    /// the same elements (Phase 13) -- context only, never converted into a
    /// selectivity score (AGENTS.md §4.3, same separation `reaction_energy`
    /// already keeps). Default `Ok(Vec::new())` ("no data") so every
    /// existing `ThermodynamicProvider` implementor keeps compiling
    /// unchanged -- a non-breaking addition, unlike Phase 12's `score_plan`
    /// signature change.
    fn competing_phases(
        &self,
        _target: &Composition,
    ) -> std::result::Result<Vec<CompetingPhase>, ProviderError> {
        Ok(Vec::new())
    }
}

/// Source of process-condition precedent for a target/precursor combination
/// (AGENTS.md §8).
pub trait ProcessEvidenceProvider {
    fn precedents(
        &self,
        target: &TargetSpecification,
        precursors: &[PrecursorSelection],
    ) -> std::result::Result<Vec<ProcessPrecedent>, ProviderError>;
}

/// Source of route-suitability findings for a target/route-family
/// combination (Phase 15A; AGENTS.md §8 sketches providers as a floor, not
/// an exhaustive list -- Phase 13's `competing_phases` already extended
/// this pattern once). Deliberately narrower than `ProcessEvidenceProvider`:
/// suitability depends only on the target and route family, not on a
/// specific precursor set, since a route family's fitness for a material
/// (e.g. whether high-temperature firing is even reachable before the
/// target decomposes) doesn't change with which precursors were chosen to
/// reach it.
pub trait RouteSuitabilityProvider {
    fn assess(
        &self,
        target: &Composition,
        route_family: RouteFamily,
    ) -> std::result::Result<Vec<SuitabilityFinding>, ProviderError>;
}