refs #6667 Modified Save procedure in DirectEnergyConversion

to use different save routines as lambda functions

plus some small debugging statements which will probably be reverted

Code/Mantid/instrument/MAPS_Parameters.xml

@@ -299,11 +299,13 @@
     <value val="False"/>
 </parameter>
 
+<!--  ****************************************  Workflow control **************************** -->
+
 <!-- This parameter controls the format of output data writteb by reducer. Three values are currently supported, namely spe, nxspe, and nexus (mantid workspace) 
      Three possible values for this are defined inin DirectEnergyConversion init routine as recognized by save method 
-     If None is there, no internal script saving occurs-->  
+     If None is there, no internal script saving occurs and one needs to use external save operations -->  
 <parameter name="save_format" type="string">
-   <value val="None"/>
+   <value val=".nxs"/>
 </parameter>
 
 <!-- If one wants to sum runs   -->  
@@ -320,6 +322,14 @@
    <value val="True"/>
 </parameter>
 
+<!-- # Try to keep and maintain the list of the integrals/operations which can be reusded number of times -->
+<parameter name="cash_reusable_parameters"  type="bool">
+   <value val="True"/>
+</parameter>
+<!-- # Save intermediate workspaces/intergals for debugging purposes  -->
+<parameter name="do_checkpoint_savings"  type="bool">
+   <value val="True"/>
+</parameter>
 
 
 <!-- List of the words which can be used as a command line arguments to define reducer keywords

Code/Mantid/scripts/Inelastic/DirectEnergyConversion.py

@@ -183,14 +183,25 @@ def diagnose(self, white, **kwargs):
             DeleteWorkspace(Workspace=kwargs['second_white'])
         # Return a mask workspace
         diag_mask, det_ids = ExtractMask(InputWorkspace=whiteintegrals,OutputWorkspace=var_name)
+        if self.do_checkpoint_savings :
+            file_name = self.make_ckpt_name('white_integrals_masked',white)
+            SaveNexus(whiteintegrals,file_name)
+
         DeleteWorkspace(Workspace=whiteintegrals)
         self.spectra_masks = diag_mask
         return diag_mask
 
+
     def do_white(self, white_run, spectra_masks, map_file,mon_number=None): 
         """
-        Normalise to a specified white-beam run
+        Create the workspace, which each spectra containing the correspondent white beam integral (single value)
+
+        These intergrals are used as estimate for detector efficiency in wide range of energies 
+        (rather the detector electronic's efficientcy as the geuger counters are very different in efficiency) 
+        and is used to remove the influence of this efficiency to the different detectors.
         """
+
+
         whitews_name = common.create_resultname(white_run, suffix='-white')
         if whitews_name in mtd:
             DeleteWorkspace(Workspace=whitews_name)
@@ -216,6 +227,9 @@ def do_white(self, white_run, spectra_masks, map_file,mon_number=None):
 
         # White beam scale factor
         white_ws *= self.wb_scale_factor
+        if self.do_checkpoint_savings :
+            result_fileName=self.make_ckpt_name('do_white',white_run, spectra_masks, map_file,mon_number)
+            SaveNexus(white_ws,result_fileName +'.nxs')	
 
         return white_ws
 
@@ -562,6 +576,8 @@ def remap(self, result_ws, spec_masks, map_file):
         """
         if not spec_masks is None:
             MaskDetectors(Workspace=result_ws, MaskedWorkspace=spec_masks)
+            print " check workspace masks for ws: ",result_ws.name()
+            ar = raw_input("Enter something to continue: ")
         if not map_file is None:
             result_ws = GroupDetectors(InputWorkspace=result_ws,OutputWorkspace=result_ws,
                                        MapFile= map_file, KeepUngroupedSpectra=0, Behaviour='Average')
@@ -699,30 +715,27 @@ def save_results(self, workspace, save_path, formats = None):
             pass
 
         if formats is None:
-            formats = self.__save_formats
+            formats = [self.save_format]
         if type(formats) == str:
             formats = [formats]
         #Make sure we just have a file stem
-        ext = self.save_format
+        ext = formats
 
-        # if ext is none, no need to write anything
-        if ext == None :
-            return
 
         if len(ext) == 0:
             ext = '.spe'
 
+        # if ext is none, no need to write anything
+        if len(ext) == 1 and ext[0] == None :
+            return
+
         save_path = os.path.splitext(save_path)[0]
         for ext in formats:
-            filename = save_path + ext
-            if ext == '.spe':
-                SaveSPE(InputWorkspace=workspace,Filename= filename)
-            elif ext == '.nxs':
-                SaveNexus(InputWorkspace=workspace,Filename= filename)
-            elif ext == '.nxspe':
-                SaveNXSPE(InputWorkspace=workspace,Filename= filename, KiOverKfScaling=self.apply_kikf_correction,Psi=self.psi)
+            if ext in self.__save_formats :
+                filename = save_path + ext
+                self.__save_formats[ext](workspace,filename)            
             else:
-                self.log('Unknown file format "%s" encountered while saving results.')
+                self.log('Unknown file format "{0} requested while saving results.'.format(ext))
 
 
     #-------------------------------------------------------------------------------
@@ -799,7 +812,12 @@ def init_idf_params(self, reload_instrument=False):
         specify some parameters which may be not in IDF Parameters file
         """
         # fomats availible for saving. As the reducer has to have a method to process one of this, it is private property
-        self.__save_formats = ['.spe','.nxs','.nxspe']
+        self.__save_formats = {}
+        self.__save_formats['.spe']   = lambda workspace,filename : SaveSPE(InputWorkspace=workspace,Filename= filename)
+        self.__save_formats['.nxspe'] = lambda workspace,filename : SaveNXSPE(InputWorkspace=workspace,Filename= filename, KiOverKfScaling=self.apply_kikf_correction,Psi=self.psi)
+        self.__save_formats['.nxs']   = lambda workspace,filename : SaveNexus(InputWorkspace=workspace,Filename= filename)
+
+
 
         ## Detector diagnosis
         # Diag parameters -- keys used by diag method to pick from default parameters. Diag cuts these keys removing diag_ word 
@@ -812,6 +830,10 @@ def init_idf_params(self, reload_instrument=False):
 
         # list of the parameters which should usually be changed by user and if not, user should be warn about it. 
         self.__abs_units_par_to_change=['sample_mass','sample_rmm']
+
+        # the list of the reduction parameters which can be used number of times
+        self.__reusable_parameters = {}
+        # mandatrory command line parameter
         self.energy_bins = None
 
         # should come from Mantid
@@ -1068,6 +1090,11 @@ def build_idf_parameters(self,list_param_names) :
         # reset the list of composite names defined using synonims
         self.composite_keys_set=new_comp_name_set
 
+    @staticmethod
+    def make_ckpt_name(*argi) :
+        """ Make the name of the checkpoint from the function arguments
+        """
+        return ''.join(str(arg) for arg in argi if arg is not None)
 
 
     def log(self, msg,level="notice"):
@@ -1294,6 +1321,13 @@ def test_default_warnings(self):
 
         keys_changed=['somethins_else1','somethins_else2']
         self.assertEqual(2,tReducer.check_abs_norm_defaults_changed(keys_changed))
+    def test_do_white(self) :
+        tReducer = self.reducer
+        monovan = 1000
+        data = None
+        name = tReducer.make_ckpt_name('do_white',monovan,data,'t1')
+        self.assertEqual('do_white1000t1',name)
+
 
     #def test_diag_call(self):
     #    tReducer = self.reducer

Code/Mantid/scripts/Inelastic/dgreduce.py

@@ -450,7 +450,7 @@ def apply_absolute_normalization(Reducer,deltaE_wkspace_sample,monovan_run,ei_gu
         if Reducer.monovan_integr_range is None: # integration in the range relative to incident energy
             Reducer.monovan_integr_range = [Reducer.monovan_lo_frac*ei_guess,Reducer.monovan_hi_frac*ei_guess]
         Reducer.log('##### Evaluate the integral from the monovan run and calculate the correction factor ######')
-        print '      Using absolute units vanadion integration range : ', Reducer.monovan_integr_range                
+        Reducer.log('      Using absolute units vanadion integration range : '+str(Reducer.monovan_integr_range))
        #now on the mono_vanadium run swap the mapping file
         map_file            = Reducer.map_file;
         Reducer.map_file    = Reducer.monovan_mapfile;

Code/Mantid/scripts/Inelastic/diagnostics.py

@@ -70,6 +70,8 @@ def diagnose(white_int, **kwargs):
         LoadMask(Instrument=kwargs.get('instrument_name',''),InputFile=parser.hard_mask,
                  OutputWorkspace='hard_mask_ws')
         MaskDetectors(Workspace=white_int, MaskedWorkspace='hard_mask_ws')
+        print 'check masks for workspace: ',white_int.name()
+        var = raw_input("Enter something to continue: ")
         # Find out how many detectors we hard masked
         _dummy_ws,masked_list = ExtractMask(InputWorkspace='hard_mask_ws')
         DeleteWorkspace('_dummy_ws')