agent/state.py

"""LangGraph state definition for MOF screening pipeline."""
from typing import TypedDict


class ScreeningState(TypedDict, total=False):
    cif_path: str
    user_request: str
    mof_id: str
    task_card: dict | None
    execution_plan: dict | None
    tool_execution_plan: dict | None
    scm_meta: dict | None
    adsorption: dict | None
    linker: dict | None
    toxicity: dict | None
    safety: dict | None
    six_step: dict | None
    gate_status: str | None
    failed_at_step: int | None
    row: dict | None
    evidence_ledger: list[dict]
    audit_report: dict | None
    repair_report: dict | None
    safety_review: dict | None
    reviewer_reports: list[dict]
    decision_record: dict | None
    repair_actions: list[str]
    agent_trace: list[dict]
    final_score: float | None
    recommendation: str | None
    explanation: str | None
    llm_provider: str
    llm_api_key: str | None
    warnings: list[str]
    errors: list[str]