public release 3.0.0 - see README and CHANGES for details

tests/test_project.py

@@ -10,20 +10,17 @@ to run the tests, change to the directory which contains the tests directory, an
 
 @author Matthias Muntwiler, matthias.muntwiler@psi.ch
 
-@copyright (c) 2015-18 by Paul Scherrer Institut @n
+@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
 """
 
-from __future__ import absolute_import
-from __future__ import division
-from __future__ import print_function
-
 import mock
 import numpy as np
 import os
+from pathlib import Path
 import unittest
 
 import pmsco.data as data
@@ -31,6 +28,103 @@ 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