Add unit tests for calculate h ratio

Added unit tests and removed old comments

src/mvesuvio/analysis_reduction.py

@@ -216,11 +216,9 @@ def calculate_h_ratio(self):
             return None
 
         # Hydrogen present 
-        # intensities = np.array([p.mean_intensity for p in self._profiles.values()])
-        intensities = self.mean_intensity_ratios
-        # masses = np.array([p.mass for p in self._profiles.values()])
-
+        intensities = self._mean_intensity_ratios
         sorted_intensities = intensities[np.argsort(self._masses)]
+
         return sorted_intensities[0] / sorted_intensities[1] 
 
 

tests/unit/analysis/test_analysis_reduction.py

@@ -0,0 +1,36 @@
+import unittest
+import numpy as np
+import numpy.testing as nptest
+from mock import MagicMock
+from mvesuvio.analysis_reduction import AnalysisRoutine 
+from mantid.simpleapi import CreateWorkspace, DeleteWorkspace
+
+
+class TestAnalysisFunctions(unittest.TestCase):
+    def setUp(self):
+        pass
+
+    def test_calculate_h_ratio_masses_ordered(self):
+        alg = AnalysisRoutine()
+        alg._mean_intensity_ratios = np.array([0.91175, 0.06286, 0.00732, 0.01806])
+        alg._masses = np.array([1.0079, 12.0, 16.0, 27.0])
+        h_ratio = alg.calculate_h_ratio()
+        self.assertAlmostEqual(14.504454343, h_ratio)
+
+    def test_calculate_h_ratio_masses_unordered(self):
+        alg = AnalysisRoutine()
+        alg._mean_intensity_ratios = np.array([0.00732, 0.06286, 0.01806, 0.91175])
+        alg._masses = np.array([16.0, 12.0, 27.0, 1.0079])
+        h_ratio = alg.calculate_h_ratio()
+        self.assertAlmostEqual(14.504454343, h_ratio)
+
+    def test_calculate_h_ratio_hydrogen_missing(self):
+        alg = AnalysisRoutine()
+        alg._mean_intensity_ratios = np.array([0.00732, 0.06286, 0.01806])
+        alg._masses = np.array([16.0, 12.0, 27.0])
+        h_ratio = alg.calculate_h_ratio()
+        self.assertAlmostEqual(None, h_ratio)
+
+
+if __name__ == "__main__":
+    unittest.main()