Change name of log file and print tables

Changed the name of the log file to account for the fact that one
of the routines is joint, so hte name cannot depend on the spectra being
fitted (well it could, but that would be unecessary and more complex).

I also noticed that no information about the initial parameters was being
outputed so I created a new function for printing tables and used that to
show the tables for the initial parameters.

src/mvesuvio/main/run_routine.py

@@ -4,7 +4,8 @@
                             loadRawAndEmptyWsFromUserPath, cropAndMaskWorkspace, \
                             calculate_h_ratio, name_for_starting_ws, \
                             scattering_type, ws_history_matches_inputs, save_ws_from_load_vesuvio, \
-                            is_hydrogen_present, create_profiles_table, create_table_for_hydrogen_to_mass_ratios
+                            is_hydrogen_present, create_profiles_table, create_table_for_hydrogen_to_mass_ratios, \
+                            print_table_workspace
 from mvesuvio.analysis_reduction import VesuvioAnalysisRoutine
 
 from mantid.api import mtd
@@ -89,21 +90,24 @@ def run(self):
         wsInMtd = [ws in mtd for ws in self.ws_to_fit_y_space]  # Bool list
         if (len(wsInMtd) > 0) and all(wsInMtd):
             self.runAnalysisFitting()
-            self.make_clean_log_file()
+            self.make_summarised_log_file()
             return self.analysis_result, self.fitting_result  
 
         self.runAnalysisRoutine()
         self.runAnalysisFitting()
 
         # Return results used only in tests
-        self.make_clean_log_file()
+        self.make_summarised_log_file()
         return self.analysis_result, self.fitting_result  
 
 
-    def make_clean_log_file(self):
+    def make_summarised_log_file(self):
         pattern = re.compile(r"^\d{4}-\d{2}-\d{2}")
+
+        log_file_save_path = self.make_log_file_name()
+
         try:
-            with open(self.mantid_log_file, "r") as infile, open(self.log_file_save_path, "w") as outfile:
+            with open(self.mantid_log_file, "r") as infile, open(log_file_save_path, "w") as outfile:
                 for line in infile:
                     if "VesuvioAnalysisRoutine" in line:
                         outfile.write(line)       
@@ -116,7 +120,17 @@ def make_clean_log_file(self):
         except OSError:
             print("Mantid log file not available. Unable to produce a summarized log file for this routine.")
         return 
+
 
+    def make_log_file_name(self):
+        filename = ''
+        if self.bckwd_ai.run_this_scattering_type:
+            filename += 'bckwd_'
+        if self.fwd_ai.run_this_scattering_type:
+            filename += 'fwd_'
+        filename += self.yFitIC.fitting_model
+        return self.experiment_path / (filename+ ".log")
+
 
     def runAnalysisFitting(self):
         for wsName, i_cls in zip(self.ws_to_fit_y_space, self.classes_to_fit_y_space):
@@ -182,6 +196,7 @@ def run_joint_algs(cls, back_alg, front_alg):
 
         # Update original profiles table
         RenameWorkspace(fixed_profiles_table, receiving_profiles_table.name())
+        print_table_workspace(mtd[receiving_profiles_table.name()])
         # Even if the name is the same, need to trigger update
         front_alg.setPropertyValue("InputProfiles", receiving_profiles_table.name())
 
@@ -260,6 +275,7 @@ def _create_analysis_algorithm(self, ai):
             maskTOFRange=ai.mask_time_of_flight_range
         )
         profiles_table = create_profiles_table(cropedWs.name()+"_initial_parameters", ai)
+        print_table_workspace(profiles_table)
         ipFilesPath = Path(handle_config.read_config_var("caching.ipfolder"))
         kwargs = {
             "InputWorkspace": cropedWs.name(),
@@ -335,25 +351,21 @@ def _set_output_paths(self, ai):
 
         # Build Filename based on ic
         corr = ""
-        if ai.do_gamma_correction & (ai.number_of_iterations_for_corrections > 0):
-            corr += "_GC"
         if ai.do_multiple_scattering_correction & (ai.number_of_iterations_for_corrections > 0):
-            corr += "_MS"
+            corr += "MS"
+        if ai.do_gamma_correction & (ai.number_of_iterations_for_corrections > 0):
+            corr += "GC"
 
         fileName = (
-            f"spec_{ai.detectors.strip()}_iter_{ai.number_of_iterations_for_corrections}{corr}" + ".npz"
+            f"{ai.detectors.strip()}_{ai.number_of_iterations_for_corrections}{corr}"
         )
-        fileNameYSpace = fileName + "_ySpaceFit" + ".npz"
-
-        self.results_save_path = outputPath / fileName
-        ai.ySpaceFitSavePath = outputPath / fileNameYSpace
+        self.results_save_path = outputPath / (fileName + ".npz")
+        ai.ySpaceFitSavePath = outputPath / (fileName + "_yfit.npz")
 
         # Set directories for figures
         figSavePath = experimentPath / "figures"
         figSavePath.mkdir(exist_ok=True)
         self.fig_save_path = figSavePath
-
-        self.log_file_save_path = self.experiment_path / "test.log"
         return
 
 

src/mvesuvio/util/analysis_helpers.py

@@ -12,6 +12,19 @@
 import ntpath
 
 
+def print_table_workspace(table):
+    max_spacing = [max([len(str(i)) for i in table.column(key)] + [len(key)]) for key in table.keys()]
+    header = "|" + "|".join(f"{item}{' '*(spacing-len(item))}" for item, spacing in zip(table.keys(), max_spacing)) + "|"
+    logger.notice(f"Table {table.name()}:")
+    logger.notice(' '+'-'*(len(header)-2)+' ')
+    logger.notice(header)
+    for i in range(table.rowCount()):
+        table_row = "|".join(f"{item}{' '*(spacing-len(str(item)))}" for item, spacing in zip(table.row(i).values(), max_spacing))
+        logger.notice("|" + table_row + "|")
+    logger.notice(' '+'-'*(len(header)-2)+' ')
+    return
+
+
 def create_profiles_table(name, ai):
     table = CreateEmptyTableWorkspace(OutputWorkspace=name)
     table.addColumn(type="str", name="label")