import type { CompositionType } from '../composition';
import type { GasSpecies, GasThermodynamicsProvider, PhaseData } from '../convex-hull/types';
import type { ElementSymbol } from '../element/types';
export interface SynthesisConditions {
    temperature?: number;
    open_species?: GasSpecies[];
    partial_pressures?: Partial<Record<GasSpecies, number>>;
    gas_provider?: GasThermodynamicsProvider;
}
export interface PrecursorPoolOptions {
    allow?: string[];
    block?: string[];
    max_e_above_hull?: number;
    only_common?: boolean;
    max_elements?: number;
}
export interface ScoreWeights {
    selectivity: number;
    inverse_hull: number;
    driving_force: number;
    competition: number;
    practicality: number;
    simplicity: number;
}
export interface SynthesisPlanRequest {
    entries: PhaseData[];
    target: string;
    precursors?: PrecursorPoolOptions;
    conditions?: SynthesisConditions;
    max_precursors?: number;
    two_step?: boolean;
    scoring?: Partial<ScoreWeights>;
    max_routes?: number;
    target_mass_g?: number;
}
export interface SynthesisPlanProgress {
    stage: `preparing` | `direct_routes` | `two_step_routes` | `ranking`;
    current: number;
    total: number;
}
export interface PhaseRef {
    id: string;
    formula: string;
    composition: CompositionType;
    energy_per_atom: number;
    e_above_hull: number;
    n_atoms_per_fu: number;
    molar_mass: number;
    is_gas: boolean;
    common_name?: string;
}
export interface ReactionSpecies {
    phase: PhaseRef;
    coefficient: number;
}
export interface SynthesisReaction {
    reactants: ReactionSpecies[];
    products: ReactionSpecies[];
    equation: string;
    energy_per_atom: number;
    energy_per_fu: number;
    driving_force: number;
}
export interface CompetingPhase {
    phase: PhaseRef;
    driving_force: number;
    more_favorable_than_target: boolean;
    mixture: Record<string, number>;
}
export interface PairwiseInterface {
    precursors: [PhaseRef, PhaseRef];
    first_product: CompetingPhase | null;
    forms_target: boolean;
}
export interface SelectivityMetrics {
    target_driving_force: number;
    inverse_hull_energy: number;
    competitors: CompetingPhase[];
    selectivity_margin: number;
    n_more_favorable: number;
    target_is_most_favorable: boolean;
    interfaces: PairwiseInterface[];
}
export interface RouteThermodynamics {
    onset_temperature: number | null;
    gas_exchange: Partial<Record<GasSpecies, number>>;
    atmosphere: string;
}
export interface PracticalityAssessment {
    score: number;
    notes: string[];
}
export interface RecipeItem {
    phase: PhaseRef;
    role: `precursor` | `atmosphere` | `target` | `byproduct`;
    moles: number;
    mass_g: number;
    mass_fraction?: number;
}
export interface Recipe {
    target_mass_g: number;
    items: RecipeItem[];
    mass_loss_percent: number;
    temperature_window: {
        min_K: number | null;
        max_K: number | null;
        basis: string[];
    };
    procedure: string[];
}
export type RejectReason = `unbalanced` | `redundant_precursor` | `uphill`;
export interface SynthesisRoute {
    id: string;
    kind: `direct` | `two_step`;
    reaction: SynthesisReaction;
    intermediate_step?: SynthesisReaction;
    selectivity: SelectivityMetrics;
    thermodynamics: RouteThermodynamics;
    practicality: PracticalityAssessment;
    score: number;
    score_breakdown: Record<keyof ScoreWeights, number>;
    rationale: string[];
    recipe: Recipe;
}
export interface TargetStability {
    e_above_hull: number;
    is_stable: boolean;
    decomposition: {
        phase: PhaseRef;
        atom_fraction: number;
    }[];
}
export interface SynthesisPlan {
    target: PhaseRef;
    chemical_system: string;
    elements: ElementSymbol[];
    conditions: Required<Pick<SynthesisConditions, `temperature` | `open_species`>> & {
        partial_pressures: Partial<Record<GasSpecies, number>>;
    };
    target_stability: TargetStability;
    weights: ScoreWeights;
    routes: SynthesisRoute[];
    rejected: Record<RejectReason, number>;
    n_candidates: number;
    precursor_pool: PhaseRef[];
    warnings: string[];
}