""" @package tests.test_project unit tests for pmsco.project. the purpose of these tests is to help debugging the code. to run the tests, change to the directory which contains the tests directory, and execute =nosetests=. @pre nose and mock must be installed. @author Matthias Muntwiler, matthias.muntwiler@psi.ch @copyright (c) 2015-21 by Paul Scherrer Institut @n Licensed under the Apache License, Version 2.0 (the "License"); @n you may not use this file except in compliance with the License. You may obtain a copy of the License at http://www.apache.org/licenses/LICENSE-2.0 """ import mock import numpy as np import os from pathlib import Path import unittest import pmsco.data as data import pmsco.dispatch as dispatch import pmsco.project as project class TestModelSpace(unittest.TestCase): def setUp(self): self.d1 = { "A": {"start": 2.1, "min": 2.0, "max": 3.0, "step": 0.05}, "B": {"start": 15.0, "min": 0.0, "max": 30.0, "step": 1.0}} self.d2 = { "C": {"start": 22.0, "min": 15.0, "max": 25.0, "step": 1.0}, "D": {"start": 1.5, "min": 0.5, "max": 2.0, "step": 0.25}} def test_add_param(self): ms = project.ModelSpace() ms.start['A'] = 2.1 ms.min['A'] = 2.0 ms.max['A'] = 3.0 ms.step['A'] = 0.05 ms.add_param("E", 5.0, 1.0, 9.0, 0.2) ms.add_param("F", 8.0, width=6.0, step=0.5) d_start = {'A': 2.1, 'E': 5.0, 'F': 8.0} d_min = {'A': 2.0, 'E': 1.0, 'F': 5.0} d_max = {'A': 3.0, 'E': 9.0, 'F': 11.0} d_step = {'A': 0.05, 'E': 0.2, 'F': 0.5} self.assertDictEqual(ms.start, d_start) self.assertDictEqual(ms.min, d_min) self.assertDictEqual(ms.max, d_max) self.assertDictEqual(ms.step, d_step) def test_get_param(self): ms = project.ModelSpace() ms.add_param("A", **self.d1['A']) ms.add_param("B", **self.d1['B']) result = ms.get_param('B') expected = {'start': 15.0, 'min': 0.0, 'max': 30.0, 'step': 1.0} self.assertIsInstance(result, project.ParamSpace) self.assertEqual(result.start, expected['start']) self.assertEqual(result.min, expected['min']) self.assertEqual(result.max, expected['max']) self.assertEqual(result.step, expected['step']) def test_set_param_dict(self): ms = project.ModelSpace() ms.set_param_dict(self.d1) ms.set_param_dict(self.d2) d_start = {'C': 22.0, 'D': 1.5} d_min = {'C': 15.0, 'D': 0.5} d_max = {'C': 25.0, 'D': 2.0} d_step = {'C': 1.0, 'D': 0.25} self.assertDictEqual(ms.start, d_start) self.assertDictEqual(ms.min, d_min) self.assertDictEqual(ms.max, d_max) self.assertDictEqual(ms.step, d_step) class TestScanCreator(unittest.TestCase): """ test case for @ref pmsco.project.ScanCreator class """ def test_load_1(self): """ test the load method, case 1 test for: - correct array expansion of an ['e', 'a'] scan. - correct file name expansion with place holders and pathlib.Path objects. """ sc = project.ScanCreator() sc.filename = Path("{test_p}", "twoatom_energy_alpha.etpai") sc.positions = { "e": "np.arange(10, 400, 5)", "t": "0", "p": "0", "a": "np.linspace(-30, 30, 31)" } sc.emitter = "Cu" sc.initial_state = "2p3/2" p = Path(__file__).parent / ".." / "projects" / "twoatom" dirs = {"test_p": p, "test_s": str(p)} result = sc.load(dirs=dirs) self.assertEqual(result.mode, ['e', 'a']) self.assertEqual(result.emitter, sc.emitter) self.assertEqual(result.initial_state, sc.initial_state) e = np.arange(10, 400, 5) a = np.linspace(-30, 30, 31) t = p = np.asarray([0]) np.testing.assert_array_equal(result.energies, e) np.testing.assert_array_equal(result.thetas, t) np.testing.assert_array_equal(result.phis, p) np.testing.assert_array_equal(result.alphas, a) self.assertTrue(Path(result.filename).is_file(), msg=f"file {result.filename} not found") class TestScan(unittest.TestCase): """ test case for @ref pmsco.project.Scan class """ def test_import_scan_file(self): base_dir = os.path.dirname(os.path.abspath(__file__)) test_file = os.path.join(base_dir, "..", "projects", "twoatom", "twoatom_energy_alpha.etpai") scan = project.Scan() scan.import_scan_file(test_file, "C", "1s") mode = ['e', 'a'] self.assertEqual(scan.mode, mode) ae = np.arange(10, 1005, 5) at = np.asarray([0]) ap = np.asarray([0]) aa = np.arange(-90, 91, 1) np.testing.assert_array_almost_equal(scan.energies, ae) np.testing.assert_array_almost_equal(scan.thetas, at) np.testing.assert_array_almost_equal(scan.phis, ap) np.testing.assert_array_almost_equal(scan.alphas, aa) def test_define_scan(self): scan = project.Scan() p0 = np.asarray([20]) p1 = np.linspace(1, 4, 4) p2 = np.linspace(11, 13, 3) d = {'t': p1, 'e': p0, 'p': p2} scan.define_scan(d, "C", "1s") ae = np.asarray([20]) at = np.asarray([1, 2, 3, 4]) ap = np.asarray([11, 12, 13]) aa = np.asarray([0]) np.testing.assert_array_almost_equal(scan.energies, ae) np.testing.assert_array_almost_equal(scan.thetas, at) np.testing.assert_array_almost_equal(scan.phis, ap) np.testing.assert_array_almost_equal(scan.alphas, aa) re = np.ones(12) * 20 rt = np.asarray([1, 1, 1, 2, 2, 2, 3, 3, 3, 4, 4, 4]) rp = np.asarray([11, 12, 13, 11, 12, 13, 11, 12, 13, 11, 12, 13]) ra = np.ones(12) * 0 np.testing.assert_array_almost_equal(scan.raw_data['e'], re) np.testing.assert_array_almost_equal(scan.raw_data['t'], rt) np.testing.assert_array_almost_equal(scan.raw_data['p'], rp) np.testing.assert_array_almost_equal(scan.raw_data['a'], ra) class TestProject(unittest.TestCase): def setUp(self): # before each test method self.project = project.Project() def tearDown(self): # after each test method pass @classmethod def setup_class(cls): # before any methods in this class pass @classmethod def teardown_class(cls): # teardown_class() after any methods in this class pass @mock.patch('pmsco.data.load_data') @mock.patch('pmsco.data.save_data') def test_combine_domains(self, save_data_mock, load_data_mock): self.project.scans.append(project.Scan()) parent_task = dispatch.CalculationTask() parent_task.change_id(model=0, scan=0) parent_task.model['wdom1'] = 0.5 child_tasks = [parent_task.copy()] * 2 for idx, task in enumerate(child_tasks): task.change_id(domain=idx) data1 = data.create_data(5, datatype='EI') data1['e'] = np.arange(5) data1['i'] = 10. data2 = data1.copy() data2['i'] = 10. load_data_mock.side_effect = [data1, data2] data3 = data1.copy() data3['i'] = (10. + 0.5 * 10.) / 1.5 self.project.combine_domains(parent_task, child_tasks) save_data_mock.assert_called() args, kwargs = save_data_mock.call_args result_data = args[1] np.testing.assert_array_almost_equal(result_data['e'], data3['e']) np.testing.assert_array_almost_equal(result_data['i'], data3['i']) if __name__ == '__main__': unittest.main()