tests/test_equations.py

from mcp_tox_calc.equations import (
    calculate_epa_elcr_csf,
    calculate_epa_elcr_iur,
    calculate_fda_ctp_elcr,
    run_batch_cancer_risk,
)


def test_calculate_epa_elcr_csf_basic():
    out = calculate_epa_elcr_csf(
        {
            "route": "oral",
            "exposure_value": 0.01,
            "exposure_unit": "mg/kg-day",
            "body_weight_kg": 70,
            "csf_value": 1.5,
            "csf_unit": "(mg/kg-day)^-1",
        }
    )
    assert round(out["result_value"], 8) == 0.015


def test_calculate_epa_elcr_iur_basic():
    out = calculate_epa_elcr_iur(
        {
            "route": "inhalation",
            "air_conc_value": 100,
            "air_conc_unit": "ug/m3",
            "iur_value": 1e-6,
            "iur_unit": "(ug/m3)^-1",
        }
    )
    assert round(out["result_value"], 8) == 0.0001


def test_fda_wrapper_aggregates_components():
    out = calculate_fda_ctp_elcr(
        {
            "constituents": [
                {
                    "route": "oral",
                    "exposure_value": 0.01,
                    "exposure_unit": "mg/kg-day",
                    "body_weight_kg": 70,
                    "csf_value": 1.0,
                    "csf_unit": "(mg/kg-day)^-1",
                },
                {
                    "route": "inhalation",
                    "air_conc_value": 50,
                    "air_conc_unit": "ug/m3",
                    "iur_value": 1e-6,
                    "iur_unit": "(ug/m3)^-1",
                },
            ]
        }
    )
    assert out["result_value"] > 0
    assert len(out["component_results"]) == 2


def test_batch_handles_mixed_rows():
    out = run_batch_cancer_risk(
        {
            "rows": [
                {
                    "record_id": "r1",
                    "chemical_name": "ChemA",
                    "route": "oral",
                    "exposure_value": 0.02,
                    "exposure_unit": "mg/kg-day",
                    "body_weight_kg": 70,
                    "csf_value": 1.1,
                    "csf_unit": "(mg/kg-day)^-1",
                },
                {
                    "record_id": "r2",
                    "chemical_name": "ChemB",
                    "route": "oral"
                },
            ]
        }
    )
    assert out["summary"]["total_rows"] == 2
    assert out["summary"]["ok_rows"] == 1
    assert out["summary"]["error_rows"] == 1