import hashlib
import json
import subprocess
from pathlib import Path

APP = Path('/app')
PROJECT = APP / 'vendor' / 'project'
EXPECTED = json.loads((Path('/tests/fixtures') / 'expected_output.json').read_text())


def run_report():
    output = APP / 'output.json'
    output.unlink(missing_ok=True)
    completed = subprocess.run(
        ['python3', str(APP / 'tools/orbital_check.py'), '--input', str(APP / 'data/casebook.json'), '--output', str(output)],
        cwd=APP, capture_output=True, text=True, timeout=30,
    )
    assert completed.returncode == 0, completed.stderr
    assert output.exists()
    return json.loads(output.read_text())


def test_gate_artifact_schema():
    report = run_report()
    assert report.keys() == EXPECTED.keys()
    assert report['schema_version'] == 'orbital-report.v1'
    assert isinstance(report['records'], list)
    assert len(report['records']) == 6
    assert report['summary']['case_count'] == 6


def test_core_restricted_and_open_shell():
    report = run_report()
    by_id = {record['id']: record for record in report['records']}
    assert by_id['benzene_restricted'] == EXPECTED['records'][0]
    assert by_id['radical_open_shell']['closed_shell'] is False
    assert by_id['radical_open_shell']['status'] == 'ok'


def test_core_unrestricted_and_summary():
    report = run_report()
    by_id = {record['id']: record for record in report['records']}
    assert by_id['unrestricted_equal']['closed_shell'] is True
    assert report['summary']['ok_count'] == 3
    assert report['summary']['closed_shell_count'] == 2


def test_core_missing_attributes_are_distinct():
    report = run_report()
    missing = {record['id']: record['missing'] for record in report['records'] if record['status'] == 'missing_attribute'}
    assert missing == {'missing_coefficients': 'mocoeffs', 'missing_energies': 'moenergies', 'missing_homos': 'homos'}
    assert report['summary']['missing_attribute_count'] == 3


def test_edge_casebook_and_runner_are_not_replaced():
    casebook = json.loads((APP / 'data/casebook.json').read_text())
    assert casebook['schema_version'] == 'orbital-casebook.v1'
    assert [case['id'] for case in casebook['cases']] == [record['id'] for record in EXPECTED['records']]
    runner = APP / 'tools/orbital_check.py'
    assert hashlib.sha256(runner.read_bytes()).hexdigest() == '3688079b50d508debcf0efce02011d6328cbde0d464ac93325bca0023b2d0939'


def test_gate_real_modules_remain_in_source_tree():
    for relative in ['src/cclib/method/calculationmethod.py', 'src/cclib/method/orbitals.py', 'src/cclib/parser/data.py', 'src/cclib/parser/gaussianparser.py']:
        path = PROJECT / relative
        assert path.is_file()
        assert path.stat().st_size > 500