Add unit tests

src/mvesuvio/analysis_fitting.py

@@ -13,7 +13,7 @@
 from mantid.simpleapi import AnalysisDataService
 
 from mvesuvio.util import handle_config
-from mvesuvio.util.analysis_helpers import print_table_workspace, passDataIntoWS
+from mvesuvio.util.analysis_helpers import print_table_workspace, pass_data_into_ws
 
 repoPath = Path(__file__).absolute().parent  # Path to the repository
 
@@ -207,7 +207,7 @@ def replaceZerosWithNCP(ws, ncp):
     ]  # mask of ncp adjusted for last col present or not
 
     wsMasked = CloneWorkspace(ws, OutputWorkspace=ws.name() + "_NCPMasked")
-    passDataIntoWS(dataX, dataY, dataE, wsMasked)
+    pass_data_into_ws(dataX, dataY, dataE, wsMasked)
     SumSpectra(wsMasked, OutputWorkspace=wsMasked.name() + "_Sum")
     return wsMasked
 
@@ -257,7 +257,7 @@ def dataXBining(ws, xp):
     dataE[dataY == 0] = 0
 
     wsXBins = CloneWorkspace(ws, OutputWorkspace=ws.name() + "_XBinned")
-    wsXBins = passDataIntoWS(dataX, dataY, dataE, wsXBins)
+    wsXBins = pass_data_into_ws(dataX, dataY, dataE, wsXBins)
     return wsXBins
 
 
@@ -437,7 +437,7 @@ def symmetrizeWs(avgYSpace):
         dataYS, dataES = weightedSymArr(dataY, dataE)
 
     wsSym = CloneWorkspace(avgYSpace, OutputWorkspace=avgYSpace.name() + "_sym")
-    wsSym = passDataIntoWS(dataX, dataYS, dataES, wsSym)
+    wsSym = pass_data_into_ws(dataX, dataYS, dataES, wsSym)
     return wsSym
 
 
@@ -1880,5 +1880,5 @@ def plotGlobalFit(dataX, dataY, dataE, mObj, totCost, wsName, yFitIC):
 
 def save_workspaces(yFitIC):
     for ws_name in mtd.getObjectNames():
-        if ws_name.endswith('Parameters') or ws_name.endswith('Workspace'):
+        if ws_name.endswith('Parameters') or ws_name.endswith('parameters') or ws_name.endswith('Workspace'):
             SaveAscii(ws_name, str(yFitIC.figSavePath.parent / "output_files" / ws_name))

src/mvesuvio/util/analysis_helpers.py

@@ -11,7 +11,7 @@
 import ntpath
 
 
-def passDataIntoWS(dataX, dataY, dataE, ws):
+def pass_data_into_ws(dataX, dataY, dataE, ws):
     "Modifies ws data to input data"
     for i in range(ws.getNumberHistograms()):
         ws.dataX(i)[:] = dataX[i, :]
@@ -24,11 +24,11 @@ def print_table_workspace(table, precision=3):
     table_dict = table.toDict()
     # Convert floats into strings 
     for key, values in table_dict.items():
-        new_column = [int(item) if (not isinstance(item, str) and item.is_integer()) else item for item in values]
+        new_column = [int(item) if (isinstance(item, float) and item.is_integer()) else item for item in values]
         table_dict[key] = [f"{item:.{precision}f}" if isinstance(item, float) else str(item) for item in new_column]
 
     max_spacing = [max([len(item) for item in values] + [len(key)]) for key, values in table_dict.items()]
-    header = "|" + "|".join(f"{item}{' '*(spacing-len(item))}" for item, spacing in zip(table.keys(), max_spacing)) + "|"
+    header = "|" + "|".join(f"{item}{' '*(spacing-len(item))}" for item, spacing in zip(table_dict.keys(), max_spacing)) + "|"
     logger.notice(f"Table {table.name()}:")
     logger.notice(' '+'-'*(len(header)-2)+' ')
     logger.notice(header)
@@ -255,7 +255,7 @@ def mask_time_of_flight_bins_with_zeros(ws, maskTOFRange):
 
     dataY[mask] = 0
 
-    passDataIntoWS(dataX, dataY, dataE, ws)
+    pass_data_into_ws(dataX, dataY, dataE, ws)
     return
 
 

tests/unit/analysis/test_analysis_helpers.py

@@ -3,10 +3,10 @@
 import scipy
 import dill
 import numpy.testing as nptest
-from mock import MagicMock
+from mock import MagicMock, patch, call
 from mvesuvio.util.analysis_helpers import extractWS, _convert_dict_to_table,  \
     fix_profile_parameters, calculate_h_ratio, extend_range_of_array, numerical_third_derivative,  \
-    mask_time_of_flight_bins_with_zeros
+    mask_time_of_flight_bins_with_zeros, pass_data_into_ws, print_table_workspace
 from mantid.simpleapi import CreateWorkspace, DeleteWorkspace
 
 
@@ -178,5 +178,54 @@ def test_mask_time_of_flight_bins_with_zeros(self):
         np.testing.assert_allclose(actual_data_y, expected_data_y)
 
 
+    def test_pass_data_into_ws(self):
+
+        dataX = np.arange(20).reshape(4, 5)
+        dataY = np.arange(20, 40).reshape(4, 5)
+        dataE = np.arange(40, 60).reshape(4, 5)
+
+        dataX_mock = np.zeros_like(dataX)
+        dataY_mock = np.zeros_like(dataY)
+        dataE_mock = np.zeros_like(dataE)
+
+        ws_mock = MagicMock(
+            dataY=lambda row: dataY_mock[row],
+            dataX=lambda row: dataX_mock[row],
+            dataE=lambda row: dataE_mock[row],
+            getNumberHistograms=MagicMock(return_value=4)
+        )
+
+        pass_data_into_ws(dataX, dataY, dataE, ws_mock)
+
+        np.testing.assert_allclose(dataX_mock, dataX)
+        np.testing.assert_allclose(dataY_mock, dataY)
+        np.testing.assert_allclose(dataE_mock, dataE)
+
+
+    @patch('mantid.kernel.logger.notice')
+    def test_print_table_workspace(self, mock_notice):
+        mock_table = MagicMock()
+        mock_table.name.return_value = "my_table"
+        mock_table.rowCount.return_value = 3
+        mock_table.toDict.return_value = {
+            "names": ["1.0", "12.0", "16.0"],
+            "mass": [1, 12.0, 16.00000],
+            "width": [5, 10.3456, 15.23], 
+            "bounds": ["[3, 6]", "[8, 13]", "[9, 17]"]
+        } 
+
+        print_table_workspace(mock_table, precision=2)
+
+        mock_notice.assert_has_calls(
+            [call('Table my_table:'),
+             call(' ------------------------ '),
+             call('|names|mass|width|bounds |'),
+             call('|1.0  |1   |5    |[3, 6] |'),
+             call('|12.0 |12  |10.35|[8, 13]|'),
+             call('|16.0 |16  |15.23|[9, 17]|'),
+             call(' ------------------------ ')]
+        )
+
+
 if __name__ == "__main__":
     unittest.main()