public distro 2.1.0

tests/test_project.py

@@ -20,14 +20,71 @@ Licensed under the Apache License, Version 2.0 (the "License"); @n
 from __future__ import absolute_import
 from __future__ import division
 from __future__ import print_function
-import unittest
+
 import mock
 import numpy as np
+import os
+import unittest
+
 import pmsco.data as data
 import pmsco.dispatch as dispatch
 import pmsco.project as project
 
 
+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