Removed unused comments from development

Cleaned up some comments, and introduced some others for clarity.

Author: GuiMacielPereira

environment.yml

@@ -18,4 +18,4 @@ dependencies:
   - pytest
   - jacobi==0.4.2 #pinned until newer versions functionality confirmed
   - coverage
-  - dill
+  - dill      # Used to convert constraints to strings

src/mvesuvio/analysis_fitting.py

@@ -55,7 +55,6 @@ def extractNCPFromWorkspaces(wsFinal, ic):
             if 'total' in ws_name:
                 continue
 
-            print(ws_name)
             ws = mtd[ws_name]
             dataY = ws.extractY()[np.newaxis, :, :]
             try:

src/mvesuvio/analysis_reduction.py

@@ -163,7 +163,7 @@ def _setup(self):
 
         self._profiles_table = self.getProperty("InputProfiles").value
 
-        # Need to transform profiles table into parameter array for minimize
+        # Need to transform profiles table into parameter array for optimize.minimize()
         self._initial_fit_parameters = []
         for intensity, width, center in zip(
             self._profiles_table.column("intensity"),
@@ -225,11 +225,11 @@ def _initialize_table_fit_parameters(self):
         table.setTitle("SciPy Fit Parameters")
         table.addColumn(type="float", name="Spectrum")
         for label in self._profiles_table.column("label"):
-            table.addColumn(type="float", name=f"{label} Intensity")
-            table.addColumn(type="float", name=f"{label} Width")
-            table.addColumn(type="float", name=f"{label} Center ")
-        table.addColumn(type="float", name="Normalised Chi2")
-        table.addColumn(type="float", name="Number of Iterations")
+            table.addColumn(type="float", name=f"{label} intensity")
+            table.addColumn(type="float", name=f"{label} width")
+            table.addColumn(type="float", name=f"{label} center ")
+        table.addColumn(type="float", name="normalised chi2")
+        table.addColumn(type="float", name="no of iterations")
         return table
 
 
@@ -460,8 +460,8 @@ def _set_means_and_std(self):
         widths = np.zeros((self._profiles_table.rowCount(), fitParsTable.rowCount()))
         intensities = np.zeros(widths.shape)
         for i, label in enumerate(self._profiles_table.column("label")):
-            widths[i] = fitParsTable.column(f"{label} Width")
-            intensities[i] = fitParsTable.column(f"{label} Intensity")
+            widths[i] = fitParsTable.column(f"{label} width")
+            intensities[i] = fitParsTable.column(f"{label} intensity")
         (
             meanWidths,
             stdWidths,

src/mvesuvio/util/analysis_helpers.py

@@ -47,11 +47,7 @@ def loadRawAndEmptyWsFromUserPath(userWsRawPath, userWsEmptyPath,
 
     SumSpectra(InputWorkspace=name + "_raw", OutputWorkspace=name + "_raw" + "_sum")
     wsToBeFitted = mtd[name+"_raw"]
-    # wsToBeFitted = CloneWorkspace(
-    #     InputWorkspace=name + "_raw", OutputWorkspace=name + "uncropped_unmasked"
-    # )
 
-    # if mode=="DoubleDifference":
     if subEmptyFromRaw:
         Load(Filename=str(userWsEmptyPath), OutputWorkspace=name + "_empty")
         Rebin(

tests/unit/analysis/test_analysis_helpers.py

@@ -117,8 +117,10 @@ def test_calculate_h_ratio(self):
 
     def test_conversion_of_constraints(self):
         constraints = ({'type': 'eq', 'fun': lambda par:  par[0] - 2.7527*par[3] },{'type': 'eq', 'fun': lambda par:  par[3] - 0.7234*par[6] })
+        # Used before passing constraints into Mantid algorithm
         string_constraints = str(dill.dumps(constraints))
         self.assertIsInstance(string_constraints, str)
+        # Used inside Mantid algorithm to convert back to SciPy constraints
         converted_constraints = dill.loads(eval(string_constraints))
         self.assertEqual(converted_constraints[0]['fun']([3, 0, 0, 1]), 3-2.7527)
         self.assertEqual(converted_constraints[1]['fun']([0, 0, 0, 2, 0, 0, 1]), 2-0.7234)

tests/unit/analysis/test_analysis_reduction.py

@@ -11,18 +11,5 @@ class TestAnalysisFunctions(unittest.TestCase):
     def setUp(self):
         pass
 
-    def test_constraints_are_passed_correctly(self):
-        alg = AnalysisRoutine()
-        alg.initialize()
-        constraints = (
-            {'type': 'eq', 'fun': lambda par:  par[0] - 2.7527*par[3] }, {'type': 'eq', 'fun': lambda par:  par[3] - 0.7234*par[6] })
-        for c in constraints:
-            print(inspect.getsourcelines(c['fun'])[0])
-        # alg.setProperty("Constraints", str(constraints))
-        # print(str(constraints))
-        # print(alg.getPropertyValue("Constraints"))
-        # alg_constraints = eval(alg.getPropertyValue("Constraints"))
-        # self.assertEqual(constraints, alg_constraints)
-
 if __name__ == "__main__":
     unittest.main()