Work in progress to create executable command to run sfCalculator. Th…

…is refs #5071

Code/Mantid/scripts/Interface/reduction_gui/reduction/reflectometer/refl_sf_calculator.py

@@ -22,6 +22,94 @@ class REFLSFCalculatorScripter(BaseReductionScripter):
     def __init__(self, name="REFL"):
         super(REFLSFCalculatorScripter, self).__init__(name=name)        
 
+    def create_script(self, script_part2):
+        """
+        This creates the special script for the sfCalculator algorithm
+        """
+        algo = 'sfCalculator.calculate'
+
+        script_split = script_part2.split('\n')
+        new_script = ''
+
+        run_number = []
+        attenuator = []
+
+        peak_from = []
+        peak_to = []
+        back_from = []
+        back_to = []
+
+        tof_range = ['','']
+        incident_medium = ''
+
+        for _line in script_split:
+            if _line != '':
+                _line_split = _line.split(':')
+                _arg = _line_split[0]
+                _val = _line_split[1]
+
+                if _arg == 'Run number':
+                    run_number.append(_val)
+                    continue
+
+                if _arg == 'TOF from':
+                    if tof_range[0] != '':
+                        tof_range[0] = _val
+                    continue
+
+                if _arg == 'TOF to':
+                    if tof_range[1] != '':
+                        tof_range[1] = _val
+                    continue
+
+                if _arg == 'Incident medium':
+                    if incident_medium != '':
+                        incident_medium = _val
+                    continue
+
+                if _arg == 'Number of attenuator':
+                    attenuator.append(_val)
+                    continue
+
+                if _arg == 'Peak from pixel':
+                    peak_from.append(_val)
+                    continue
+
+                if _arg == 'Peak to pixel':
+                    peak_from.append(_val)
+                    continue
+
+                if _arg == 'Back from pixel':
+                    peak_from.append(_val)
+                    continue
+
+                if _arg == 'Back to pixel':
+                    peak_from.append(_val)
+                    continue
+
+        run_attenuator = []    
+        for (run,att) in zip(run_number, attenuator):
+            run_attenuator.append(run + ':' + attenuator)
+
+        list_peak_back = []
+        for (_peak_from, _peak_to, _back_from, _back_to) in zip(peak_from, peak_to, back_from, back_to):
+            list_peak_back.append([_peak_from,_peak_to,_back_from,_back_to])
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+        return new_script
+
     def to_script(self, file_name=None):
         """
             Spits out the text of a reduction script with the current state.
@@ -36,11 +124,14 @@ def to_script(self, file_name=None):
         script += "from mantidsimple import *\n\n"
 
         script += "REF_RED_OUTPUT_MESSAGE = ''\n\n"
-
+
+        script_part2 = ''
         for item in self._observers:
             if item.state() is not None:
-                script += str(item.state())
-
+                script_part2 += str(item.state())
+
+        script += self.create_script(script_part2)
+
         if file_name is not None:
             f = open(file_name, 'w')
             f.write(script)
@@ -55,8 +146,6 @@ def apply(self):
         if HAS_MANTID:
             script = self.to_script(None)
 
-            print script
-
             try:
                 t0 = time.time()
                 exec script

Code/Mantid/scripts/Interface/reduction_gui/reduction/reflectometer/refl_sf_calculator_data_script.py

@@ -11,12 +11,11 @@
 class DataSets(BaseScriptElement):
 
     data_file = 0
-    incident_medium_list = ['H20','Small Circular SA holder','Large Circular SA holder']
+    incident_medium_list = ['H20']
     incident_medium_index_selected = 0
     number_attenuator = 0
     peak_selection = [0,0]
     back_selection = [0,0]
-    back_flag = True
     lambda_requested = 'N/A'
     s1h = 'N/A'
     s2h = 'N/A'
@@ -35,31 +34,15 @@ def to_script(self):
             Generate reduction script
             @param execute: if true, the script will be executed
         """
-
-
-
-
-
-
-
         script = 'Run number: %s \n' % str(self.data_file)
-        script += 'TOF range: \n'
-        script += '   from tof: %s ' % str(self.tof_min)
-        script += ' to tof: %s \n' % str(self.tof_max)
+        script += 'Incident medium: %s \n' % str(self.incident_medium_list[self.incident_medium_index_selected])
+        script += 'TOF from: %s \n' % str(self.tof_min)
+        script += 'TOF to: %s \n' % str(self.tof_max)
         script += 'Number of attenuator: %s \n' % str(self.number_attenuator)
-        script += 'Peak selection \n'
-        script += '   from pixel: %s ' % str(self.peak_selection[0])
-        script += ' to pixel: %s \n' % str(self.peak_selection[1])
-        script += 'Back flag: %s \n' % str(self.back_flag)
-        script += 'Back selection \n'
-        script += '   from pixel: %s ' % str(self.back_selection[0])
-        script += ' to pixel: %s \n' % str(self.back_selection[1])
-#        script += 'Lammbda requested: %s \n' % str(self.lambda_requested)
-#        script += 's1h: %s' %str(self.s1h)
-#        script += ' s2h: %s' %str(self.s2h)
-#        script += ' s1w: %s' %str(self.s1w)
-#        script += ' s2w:%s' %str(self.s2w)
-        script += "\n"
+        script += 'Peak from pixel: %s \n' % str(self.peak_selection[0])
+        script += 'Peak to pixel: %s \n' % str(self.peak_selection[1])
+        script += 'Back from pixel: %s \n' % str(self.back_selection[0])
+        script += 'Back to pixel: %s \n' % str(self.back_selection[1])
 
         return script
 
@@ -77,20 +60,19 @@ def to_xml(self):
         xml += "<incident_medium_list>%s</incident_medium_list>\n" % ','.join([str(i) for i in self.incident_medium_list])
         xml += "<tof_min>%s</tof_min>\n" % str(self.tof_min)
         xml += "<tof_max>%s</tof_max>\n" % str(self.tof_max)
-        xml += "<incident_medium_index_selected>%s</incident_medium_index_selected>" % str(self.incident_medium_index_selected)
-        xml += "<data_file>%s</data_file>" % str(self.data_file)
-        xml += "<number_attenuator>%s</number_attenuator>" % str(self.number_attenuator)
-        xml += "<peak_selection_from_pixel>%s</peak_selection_from_pixel>" % str(self.peak_selection[0])
-        xml += "<peak_selection_to_pixel>%s</peak_selection_to_pixel>" % str(self.peak_selection[1])
-        xml += "<background_flag>%s</background_flag>" % str(self.back_flag)
-        xml += "<back_selection_from_pixel>%s</back_selection_from_pixel>" % str(self.back_selection[0])
-        xml += "<back_selection_to_pixel>%s</back_selection_to_pixel>" % str(self.back_selection[1])
-        xml += "<lambda_requested>%s</lambda_requested>" % str(self.lambda_requested)
-        xml += "<s1h>%s</s1h>" % str(self.s1h)
-        xml += "<s2h>%s</s2h>" % str(self.s2h)
-        xml += "<s1w>%s</s1w>" % str(self.s1w)
-        xml += "<s2w>%s</s2w>" % str(self.s2w)
-        xml += "<scaling_factor_file>%s</scaling_factor_file>" % str(self.scaling_factor_file)
+        xml += "<incident_medium_index_selected>%s</incident_medium_index_selected>\n" % str(self.incident_medium_index_selected)
+        xml += "<data_file>%s</data_file>\n" % str(self.data_file)
+        xml += "<number_attenuator>%s</number_attenuator>\n" % str(self.number_attenuator)
+        xml += "<peak_selection_from_pixel>%s</peak_selection_from_pixel>\n" % str(self.peak_selection[0])
+        xml += "<peak_selection_to_pixel>%s</peak_selection_to_pixel>\n" % str(self.peak_selection[1])
+        xml += "<back_selection_from_pixel>%s</back_selection_from_pixel>\n" % str(self.back_selection[0])
+        xml += "<back_selection_to_pixel>%s</back_selection_to_pixel>\n" % str(self.back_selection[1])
+        xml += "<lambda_requested>%s</lambda_requested>\n" % str(self.lambda_requested)
+        xml += "<s1h>%s</s1h>\n" % str(self.s1h)
+        xml += "<s2h>%s</s2h>\n" % str(self.s2h)
+        xml += "<s1w>%s</s1w>\n" % str(self.s1w)
+        xml += "<s2w>%s</s2w>\n" % str(self.s2w)
+        xml += "<scaling_factor_file>%s</scaling_factor_file>\n" % str(self.scaling_factor_file)
         xml += "</RefLSFCalculator>\n"
         return xml
 
@@ -125,18 +107,17 @@ def from_xml_element(self, instrument_dom):
                                BaseScriptElement.getIntElement(instrument_dom, "peak_selection_to_pixel")]
 
         #background flag and selection from and to
-        self.back_flag = BaseScriptElement.getStringElement(instrument_dom, "background_flag")
         self.back_selection = [BaseScriptElement.getIntElement(instrument_dom, "back_selection_from_pixel"),
                                BaseScriptElement.getIntElement(instrument_dom, "back_selection_to_pixel")]
 
         #lambda requested
-        self.lambda_requested = BaseScriptElement.getFloatElement(instrument_dom, "lambda_requested")
+        self.lambda_requested = BaseScriptElement.getStringElement(instrument_dom, "lambda_requested")
 
         #s1h, s2h, s1w, s2w
-        self.s1h = BaseScriptElement.getFloatElement(instrument_dom, "s1h")
-        self.s2h = BaseScriptElement.getFloatElement(instrument_dom, "s1w")
-        self.s1w = BaseScriptElement.getFloatElement(instrument_dom, "s2h")
-        self.s2w = BaseScriptElement.getFloatElement(instrument_dom, "s2w")
+        self.s1h = BaseScriptElement.getStringElement(instrument_dom, "s1h")
+        self.s2h = BaseScriptElement.getStringElement(instrument_dom, "s1w")
+        self.s1w = BaseScriptElement.getStringElement(instrument_dom, "s2h")
+        self.s2w = BaseScriptElement.getStringElement(instrument_dom, "s2w")
 
         #scaling factor file
         self.scaling_factor_file = BaseScriptElement.getStringElement(instrument_dom, "scaling_factor_file")
@@ -151,7 +132,6 @@ def reset(self):
         self.number_attenuator = DataSets.number_attenuator
         self.peak_selection = DataSets.peak_selection
         self.back_selection = DataSets.back_selection
-        self.back_flag = DataSets.back_flag
         self.lambda_requested = DataSets.lambda_requested
         self.s1h = DataSets.s1h
         self.s2h = DataSets.s2h

Code/Mantid/scripts/Interface/reduction_gui/widgets/reflectometer/refl_sf_calculator.py

@@ -81,7 +81,6 @@ def initialize_content(self):
         #Event connections
         self.connect(self._summary.data_run_number_edit, QtCore.SIGNAL("returnPressed()"), self.data_run_number_validated)
         self.connect(self._summary.add_dataset_btn, QtCore.SIGNAL("clicked()"), self._add_data)
-        self.connect(self._summary.data_background_switch, QtCore.SIGNAL("clicked(bool)"), self._data_background_clicked)
         self.connect(self._summary.remove_btn, QtCore.SIGNAL("clicked()"), self._remove_item)
         self.connect(self._summary.plot_count_vs_y_btn, QtCore.SIGNAL("clicked()"), self._plot_count_vs_y)
         self.connect(self._summary.plot_count_vs_y_bck_btn, QtCore.SIGNAL("clicked()"), self._plot_count_vs_y_bck)
@@ -104,9 +103,8 @@ def initialize_content(self):
         self.connect(self._summary.data_peak_from_pixel, QtCore.SIGNAL("textChanged(QString)"), call_back)
         call_back = partial(self._edit_event, ctrl=self._summary.data_peak_to_pixel)
         self.connect(self._summary.data_peak_to_pixel, QtCore.SIGNAL("textChanged(QString)"), call_back)
-        #background flag and from/to textEdit changed
-        call_back = partial(self._edit_event, ctrl=self._summary.data_background_switch)
-        self.connect(self._summary.data_background_switch, QtCore.SIGNAL("clicked()"), call_back)
+
+        #data background
         call_back = partial(self._edit_event, ctrl=self._summary.data_background_from_pixel)
         self.connect(self._summary.data_background_from_pixel, QtCore.SIGNAL("textChanged(QString)"), call_back)
         call_back = partial(self._edit_event, ctrl=self._summary.data_background_to_pixel)
@@ -283,17 +281,17 @@ def _add_data(self):
 
         self._reset_warnings()
 
-    def _data_background_clicked(self, is_checked):
-        """
-            This is reached when the user clicks the Background switch and will enabled or not
-            the widgets that follow that button
-        """
-        self._summary.data_background_from_pixel.setEnabled(is_checked)
-        self._summary.data_background_from_pixel_label.setEnabled(is_checked)
-        self._summary.data_background_to_pixel.setEnabled(is_checked)
-        self._summary.data_background_to_pixel_label.setEnabled(is_checked)
-        self._summary.plot_count_vs_y_bck_btn.setEnabled(is_checked)
-        self._edit_event(None, self._summary.data_background_switch)
+#    def _data_background_clicked(self, is_checked):
+#        """
+#            This is reached when the user clicks the Background switch and will enabled or not
+#            the widgets that follow that button
+#        """
+#        self._summary.data_background_from_pixel.setEnabled(is_checked)
+#        self._summary.data_background_from_pixel_label.setEnabled(is_checked)
+#        self._summary.data_background_to_pixel.setEnabled(is_checked)
+#        self._summary.data_background_to_pixel_label.setEnabled(is_checked)
+#        self._summary.plot_count_vs_y_bck_btn.setEnabled(is_checked)
+#        self._edit_event(None, self._summary.data_background_switch)
 
     def _reset_warnings(self):
         self._summary.edited_warning_label.hide()
@@ -304,7 +302,6 @@ def _reset_warnings(self):
         util.set_edited(self._summary.number_of_attenuator, False)
         util.set_edited(self._summary.data_peak_from_pixel, False)
         util.set_edited(self._summary.data_peak_to_pixel, False)
-        util.set_edited(self._summary.data_background_switch, False)
         util.set_edited(self._summary.data_background_from_pixel, False)
         util.set_edited(self._summary.data_background_to_pixel, False)
 
@@ -359,8 +356,8 @@ def set_editing_state(self, state):
         self._summary.data_peak_to_pixel.setText(str(state.peak_selection[1]))
         self._summary.data_background_from_pixel.setText(str(state.back_selection[0]))
         self._summary.data_background_to_pixel.setText(str(state.back_selection[1]))
-        self._summary.data_background_switch.setChecked(bool(state.back_flag))
         self._summary.lambda_request.setText(str(state.lambda_requested))
+
         self._summary.s1h.setText(str(state.s1h))
         self._summary.s2h.setText(str(state.s2h))
         self._summary.s1w.setText(str(state.s1w))
@@ -414,10 +411,6 @@ def get_editing_state(self):
         m.peak_selection = [int(self._summary.data_peak_from_pixel.text()),
                             int(self._summary.data_peak_to_pixel.text())]
 
-        #background flag
-        m.back_flag = self._summary.data_background_switch.isChecked()
-
-
         #background
         m.back_selection = [int(self._summary.data_background_from_pixel.text()),
                             int(self._summary.data_background_to_pixel.text())]

Code/Mantid/scripts/Interface/ui/reflectometer/refl_sf_calculator.ui

@@ -778,24 +778,24 @@ p, li { white-space: pre-wrap; }
                      <number>0</number>
                     </property>
                     <item>
-                     <widget class="QCheckBox" name="data_background_switch">
+                     <widget class="QLabel" name="label_14">
                       <property name="minimumSize">
                        <size>
-                        <width>160</width>
+                        <width>150</width>
                         <height>0</height>
                        </size>
                       </property>
                       <property name="maximumSize">
                        <size>
-                        <width>160</width>
+                        <width>150</width>
                         <height>16777215</height>
                        </size>
                       </property>
                       <property name="text">
-                       <string>Background                    </string>
+                       <string>Background selection</string>
                       </property>
-                      <property name="checked">
-                       <bool>true</bool>
+                      <property name="indent">
+                       <number>0</number>
                       </property>
                      </widget>
                     </item>

Code/Mantid/scripts/Interface/ui/reflectometer/ui_refl_sf_calculator.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'ui/reflectometer/refl_sf_calculator.ui'
 #
-# Created: Tue May  1 06:59:39 2012
+# Created: Fri May  4 12:30:45 2012
 #      by: PyQt4 UI code generator 4.7.2
 #
 # WARNING! All changes made in this file will be lost!
@@ -269,12 +269,12 @@ def setupUi(self, Frame):
         self.horizontalLayout_8 = QtGui.QHBoxLayout()
         self.horizontalLayout_8.setSpacing(0)
         self.horizontalLayout_8.setObjectName("horizontalLayout_8")
-        self.data_background_switch = QtGui.QCheckBox(self.groupBox)
-        self.data_background_switch.setMinimumSize(QtCore.QSize(160, 0))
-        self.data_background_switch.setMaximumSize(QtCore.QSize(160, 16777215))
-        self.data_background_switch.setChecked(True)
-        self.data_background_switch.setObjectName("data_background_switch")
-        self.horizontalLayout_8.addWidget(self.data_background_switch)
+        self.label_14 = QtGui.QLabel(self.groupBox)
+        self.label_14.setMinimumSize(QtCore.QSize(150, 0))
+        self.label_14.setMaximumSize(QtCore.QSize(150, 16777215))
+        self.label_14.setIndent(0)
+        self.label_14.setObjectName("label_14")
+        self.horizontalLayout_8.addWidget(self.label_14)
         self.data_background_from_pixel_label = QtGui.QLabel(self.groupBox)
         self.data_background_from_pixel_label.setEnabled(True)
         sizePolicy = QtGui.QSizePolicy(QtGui.QSizePolicy.Fixed, QtGui.QSizePolicy.Preferred)
@@ -546,7 +546,7 @@ def retranslateUi(self, Frame):
         self.data_peak_to_pixel.setText(QtGui.QApplication.translate("Frame", "0", None, QtGui.QApplication.UnicodeUTF8))
         self.plot_count_vs_y_btn.setToolTip(QtGui.QApplication.translate("Frame", "Plot detector counts versus Y pixel", None, QtGui.QApplication.UnicodeUTF8))
         self.plot_count_vs_y_btn.setText(QtGui.QApplication.translate("Frame", "Counts vs Pixel...", None, QtGui.QApplication.UnicodeUTF8))
-        self.data_background_switch.setText(QtGui.QApplication.translate("Frame", "Background                    ", None, QtGui.QApplication.UnicodeUTF8))
+        self.label_14.setText(QtGui.QApplication.translate("Frame", "Background selection", None, QtGui.QApplication.UnicodeUTF8))
         self.data_background_from_pixel_label.setText(QtGui.QApplication.translate("Frame", "from pixel", None, QtGui.QApplication.UnicodeUTF8))
         self.data_background_from_pixel.setText(QtGui.QApplication.translate("Frame", "0", None, QtGui.QApplication.UnicodeUTF8))
         self.data_background_to_pixel_label.setText(QtGui.QApplication.translate("Frame", "      to pixel  ", None, QtGui.QApplication.UnicodeUTF8))

Code/Mantid/scripts/Interface/ui/ui_refl_sf_calculator.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'ui/ui_refl_sf_calculator.ui'
 #
-# Created: Tue May  1 06:41:54 2012
+# Created: Fri May  4 12:28:05 2012
 #      by: PyQt4 UI code generator 4.7.2
 #
 # WARNING! All changes made in this file will be lost!