Fix SaveReflections for modulated structures

Framework/PythonInterface/plugins/algorithms/SaveReflections.py

@@ -4,6 +4,7 @@
 #     NScD Oak Ridge National Laboratory, European Spallation Source
 #     & Institut Laue - Langevin
 # SPDX - License - Identifier: GPL - 3.0 +
+import re
 import numpy as np
 from mantid.api import AlgorithmFactory, FileProperty, FileAction, PythonAlgorithm, ITableWorkspaceProperty
 from mantid.kernel import StringListValidator, Direction
@@ -11,7 +12,6 @@ from mantid.simpleapi import SaveHKL
 
 # List of file format names supported by this algorithm
 SUPPORTED_FORMATS = ["Fullprof", "GSAS", "Jana", "SHELX"]
-NUM_PEAKSWS_COLUMNS = 18
 
 
 def has_modulated_indexing(workspace):
@@ -20,7 +20,7 @@ def has_modulated_indexing(workspace):
     :params: workspace :: the workspace to check
     :returns: True if the workspace > 3 indicies else False
     """
-    return workspace.columnCount() > NUM_PEAKSWS_COLUMNS
+    return num_additional_indicies(workspace) > 0
 
 
 def num_additional_indicies(workspace):
@@ -29,7 +29,7 @@ def num_additional_indicies(workspace):
     :params: workspace :: the workspace count indicies in
     :returns: the number of additional indicies present in the workspace
     """
-    return workspace.columnCount() - NUM_PEAKSWS_COLUMNS
+    return len(get_additional_index_names(workspace))
 
 
 def get_additional_index_names(workspace):
@@ -38,7 +38,9 @@ def get_additional_index_names(workspace):
     :params: workspace :: the workspace to get column names from
     :returns: the names of any additional columns in the workspace
     """
-    return ["m{}".format(i+1) for i in range(num_additional_indicies(workspace))]
+    pattern = re.compile("m[1-9]+")
+    names = workspace.getColumnNames()
+    return list(filter(pattern.match, names))
 
 
 class SaveReflections(PythonAlgorithm):
@@ -83,6 +85,7 @@ class SaveReflections(PythonAlgorithm):
 
         :returns: file format to use for saving reflections to an ASCII file.
         """
+
         if output_format == "Fullprof":
             return FullprofFormat()
         elif output_format == "Jana":

Framework/PythonInterface/test/python/plugins/algorithms/SaveReflectionsTest.py

@@ -55,14 +55,14 @@ class SaveReflectionsTest(unittest.TestCase):
         return ws
 
     def _create_modulated_peak_table(self):
-        return self._create_indexed_workspace(self._workspace, 5, np.ones((self._workspace.rowCount(), 2)))
+        hklm = np.ones((self._workspace.rowCount(), 2))
+        return self._create_indexed_workspace(self._workspace, 5, hklm)
 
     def _create_indexed_workspace(self, fractional_peaks, ndim, hklm):
         # Create table with the number of columns we need
-        types = ['int', 'long64', 'double', 'double', 'double', 'double',  'double', 'double',
-                 'double', 'double', 'double', 'float', 'str', 'float', 'float', 'V3D', 'V3D', 'int']
         indexed = CreateEmptyTableWorkspace()
         names = fractional_peaks.getColumnNames()
+        types = fractional_peaks.columnTypes()
 
         # Insert the extra columns for the addtional indicies
         for i in range(ndim - 3):