test_calculations.py

""" Tests for calculations."""
import os

from aiida.engine import run
from aiida.orm import SinglefileData
from aiida.plugins import CalculationFactory, DataFactory

from . import TEST_DIR


def test_process(cattools_code):
    """Test running a calculation
    note this does not test that the expected outputs are created of output parsing"""

    # Prepare input parameters
    DiffParameters = DataFactory("cattools")
    parameters = DiffParameters({"ignore-case": True})

    file1 = SinglefileData(file=os.path.join(TEST_DIR, "input_files", "file1.txt"))
    file2 = SinglefileData(file=os.path.join(TEST_DIR, "input_files", "file2.txt"))

    # set up calculation
    inputs = {
        "code": cattools_code,
        "parameters": parameters,
        "file1": file1,
        "file2": file2,
        "metadata": {
            "options": {"max_wallclock_seconds": 30},
        },
    }

    result = run(CalculationFactory("cattools"), **inputs)
    computed_diff = result["cattools"].get_content()

    assert "content1" in computed_diff
    assert "content2" in computed_diff