Add MSGDiffractionReduction algorithm, replace Python in UI

Refs #10215
mantidproject · Sep 23, 2014 · 7f1ac35 · 7f1ac35
1 parent f7b94e6
commit 7f1ac35
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Showing 3 changed files with 139 additions and 46 deletions.
diff --git a/...ramework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/MSGDiffractionReduction.py b/...ramework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/MSGDiffractionReduction.py
@@ -0,0 +1,100 @@
+from mantid.simpleapi import *
+from mantid.api import *
+from mantid.kernel import *
+from mantid import config
+import os.path, math
+
+class MSGDiffractionReduction(PythonAlgorithm):
+
+    def category(self):
+        return 'Workflow\\MIDAS;PythonAlgorithms;Indirect'
+
+    def summary(self):
+        return 'Calculates the scattering & transmission for Indirect Geometry spectrometers.'
+
+    def PyInit(self):
+        self.declareProperty(StringArrayProperty(name='InputFiles'),
+                             doc='Comma separated list of input files.')
+
+        self.declareProperty(name='SumFiles', defaultValue=False,
+                             doc='Enabled to sum spectra from each input file.')
+
+        self.declareProperty(name='Instrument', defaultValue='IRIS',
+                             validator=StringListValidator(['IRIS', 'OSIRIS', 'TOSCA', 'VESUVIO']),
+                             doc='Instrument used for run')
+
+        self.declareProperty(name='Mode', defaultValue='diffspec',
+                             validator=StringListValidator(['diffspec', 'diffonly']),
+                             doc='Diffraction mode used')
+
+        self.declareProperty(IntArrayProperty(name='DetectorRange'),
+                             doc='Range of detectors to use.')
+
+        self.declareProperty(name='RebinParam', defaultValue='',
+                             doc='Rebin parameters')
+
+        self.declareProperty(WorkspaceGroupProperty('OutputWorkspaceGroup', '',
+                             direction=Direction.Output, optional=PropertyMode.Optional),
+                             doc='Optionally group the result workspaces.')
+
+    def validateInputs(self):
+        """
+        Checks for issues with user input.
+        """
+        issues = dict()
+
+        input_files = self.getProperty('InputFiles').value
+        if len(input_files) == 0:
+            issues['InputFiles'] = 'InputFiles must contain at least one filename'
+
+        detector_range = self.getProperty('DetectorRange').value
+        if len(detector_range) != 2:
+            issues['DetectorRange'] = 'DetectorRange must be an array of 2 values only'
+        else:
+            if detector_range[0] > detector_range[1]:
+                issues['DetectorRange'] = 'DetectorRange must be in format [lower_index,upper_index]'
+
+        return issues
+
+    def PyExec(self):
+        from IndirectCommon import StartTime, EndTime
+        from IndirectDiffractionReduction import MSGDiffractionReducer
+
+        StartTime('MSGDiffractionReduction')
+
+        input_files = self.getProperty('InputFiles').value
+        sum_files = self.getProperty('SumFiles').value
+        instrument_name = self.getPropertyValue('Instrument')
+        mode = self.getPropertyValue('Mode')
+        detector_range = self.getProperty('DetectorRange').value
+        rebin_string = self.getPropertyValue('RebinParam')
+        output_ws_group = self.getPropertyValue('OutputWorkspaceGroup')
+
+        ipf_filename = instrument_name + '_diffraction_' + mode + '_Parameters.xml'
+
+        reducer = MSGDiffractionReducer()
+        reducer.set_instrument_name(instrument_name)
+        reducer.set_detector_range(detector_range[0] - 1, detector_range[1] - 1)
+        reducer.set_parameter_file(ipf_filename)
+        reducer.set_sum_files(sum_files)
+
+        for in_file in input_files:
+            reducer.append_data_file(in_file)
+
+        if rebin_string != '':
+            reducer.set_rebin_string(rebin_string)
+
+        if instrument_name == 'VESUVIO':
+            reducer.append_load_option('Mode', 'FoilOut')
+
+        reducer.reduce()
+
+        if output_ws_group != '':
+            result_ws_list = recuer.get_result_workspaces()
+            GroupWorkspaces(InputWorkspaces=result_ws_list, OutputWorkspace=output_ws_group)
+            self.setProperty('OutputWorkspaceGroup', output_ws_group)
+
+        EndTime('MSGDiffractionReduction')
+
+
+AlgorithmFactory.subscribe(MSGDiffractionReduction)
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/IndirectDiffractionReduction.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/IndirectDiffractionReduction.cpp
@@ -84,50 +84,47 @@ void IndirectDiffractionReduction::demonRun()
  */
 void IndirectDiffractionReduction::runGenericReduction(QString instName, QString mode)
 {
-  // MSGDiffractionReduction
-  QString pfile = instName + "_diffraction_" + mode + "_Parameters.xml";
-  QString pyInput =
-    "from IndirectDiffractionReduction import MSGDiffractionReducer\n"
-    "reducer = MSGDiffractionReducer()\n"
-    "reducer.set_instrument_name('" + instName + "')\n"
-    "reducer.set_detector_range("+m_uiForm.set_leSpecMin->text()+"-1, " +m_uiForm.set_leSpecMax->text()+"-1)\n"
-    "reducer.set_parameter_file('" + pfile + "')\n"
-    "files = [r'" + m_uiForm.dem_rawFiles->getFilenames().join("',r'") + "']\n"
-    "for file in files:\n"
-    "    reducer.append_data_file(file)\n";
-  // Fix Vesuvio to FoilOut for now
-  if(instName == "VESUVIO")
-    pyInput += "reducer.append_load_option('Mode','FoilOut')\n";
-
-  if ( m_uiForm.dem_ckSumFiles->isChecked() )
-  {
-    pyInput += "reducer.set_sum_files(True)\n";
-  }
-
-  pyInput += "formats = []\n";
-  if ( m_uiForm.ckGSS->isChecked() ) pyInput += "formats.append('gss')\n";
-  if ( m_uiForm.ckNexus->isChecked() ) pyInput += "formats.append('nxs')\n";
-  if ( m_uiForm.ckAscii->isChecked() ) pyInput += "formats.append('ascii')\n";
-
-  QString rebin = m_uiForm.leRebinStart->text() + "," + m_uiForm.leRebinWidth->text()
-    + "," + m_uiForm.leRebinEnd->text();
-  if ( rebin != ",," )
-  {
-    pyInput += "reducer.set_rebin_string('" + rebin +"')\n";
-  }
-
-  pyInput += "reducer.set_save_formats(formats)\n";
-  pyInput +=
-    "reducer.reduce()\n";
+  // Get rebin string
+  QString rebinStart = m_uiForm.leRebinStart->text();
+  QString rebinWidth = m_uiForm.leRebinWidth->text();
+  QString rebinEnd = m_uiForm.leRebinEnd->text();
+
+  QString rebin = "";
+  if(!rebinStart.isEmpty() && !rebinWidth.isEmpty() && !rebinEnd.isEmpty())
+      rebin = rebinStart + "," + rebinWidth + "," + rebinEnd;
+
+  // Get detector range
+  std::vector<long> detRange;
+  detRange.push_back(m_uiForm.set_leSpecMin->text().toLong());
+  detRange.push_back(m_uiForm.set_leSpecMax->text().toLong());
+
+  // Get MSGDiffractionReduction algorithm instance
+  IAlgorithm_sptr msgDiffReduction = AlgorithmManager::Instance().create("MSGDiffractionReduction");
+  msgDiffReduction->initialize();
+
+  // Set algorithm properties
+  msgDiffReduction->setProperty("Instrument", instName.toStdString());
+  msgDiffReduction->setProperty("Mode", mode.toStdString());
+  msgDiffReduction->setProperty("SumFiles", m_uiForm.dem_ckSumFiles->isChecked());
+  msgDiffReduction->setProperty("InputFiles", m_uiForm.dem_rawFiles->getFilenames().join(",").toStdString());
+  msgDiffReduction->setProperty("DetectorRange", detRange);
+  msgDiffReduction->setProperty("RebinParam", rebin.toStdString());
+
+  m_batchAlgoRunner->addAlgorithm(msgDiffReduction);
+
+  /* if ( m_uiForm.ckGSS->isChecked() ) pyInput += "formats.append('gss')\n"; */
+  /* if ( m_uiForm.ckNexus->isChecked() ) pyInput += "formats.append('nxs')\n"; */
+  /* if ( m_uiForm.ckAscii->isChecked() ) pyInput += "formats.append('ascii')\n"; */
 
-  if ( m_uiForm.cbPlotType->currentText() == "Spectra" )
-  {
-    pyInput += "wslist = reducer.get_result_workspaces()\n"
-      "from mantidplot import *\n"
-      "plotSpectrum(wslist, 0)\n";
-  }
+  m_batchAlgoRunner->executeBatchAsync();
 
-  QString pyOutput = runPythonCode(pyInput).trimmed();
+  /* if ( m_uiForm.cbPlotType->currentText() == "Spectra" ) */
+  /* { */
+  /*   pyInput += "wslist = reducer.get_result_workspaces()\n" */
+  /*     "from mantidplot import *\n" */
+  /*     "plotSpectrum(wslist, 0)\n"; */
+  /* } */
+  /* QString pyOutput = runPythonCode(pyInput).trimmed(); */
 }
 
 /**

diff --git a/Code/Mantid/scripts/Inelastic/inelastic_indirect_reduction_steps.py b/Code/Mantid/scripts/Inelastic/inelastic_indirect_reduction_steps.py
@@ -153,17 +153,13 @@ def _load_single_file(self, filename, output_ws):
     def _load_data(self, filename, output_ws):
         if self._parameter_file is not None and "VESUVIO" in self._parameter_file:
             loaded_ws = LoadVesuvio(Filename=filename, OutputWorkspace=output_ws, SpectrumList="1-198", **self._extra_load_opts)
-            loader_name = "LoadVesuvio"
         else:
             loaded_ws = Load(Filename=filename, OutputWorkspace=output_ws, LoadLogFiles=False, **self._extra_load_opts)
             if self._load_logs == True:
                 loaded_ws = Load(Filename=filename, OutputWorkspace=output_ws, LoadLogFiles=True, **self._extra_load_opts)
                 logger.notice("Loaded sample logs")
             else:
                 loaded_ws = Load(Filename=filename, OutputWorkspace=output_ws, LoadLogFiles=False, **self._extra_load_opts)
-            loader_handle = loaded_ws.getHistory().lastAlgorithm()
-            loader_name = loader_handle.getPropertyValue("LoaderName")
-        return loader_name
 
     def _sum_regular(self, wsname):
         merges = [[], []]