Merge pull request #1590 from SasView/ESS_GUI_1574_Invariant

Ess gui 1574 invariant

src/sas/qtgui/Perspectives/Invariant/InvariantDetails.py

@@ -60,13 +60,14 @@ def __init__(self, parent):
 
         # invariant total
         self.qstar_total = None
+        self.qdata = None
         self.qhigh = None
         self.qlow = None
         self._model = None
 
         self.progress_low_qstar = 0.0
         self.progress_high_qstar = 0.0
-        self.progress_qstar = 100.0
+        self.progress_data_qstar = 100.0
 
     def setModel(self, model):
         """ """
@@ -77,13 +78,29 @@ def showDialog(self):
         # Pull out data from the model
         self.qstar_total = float(self._model.item(WIDGETS.W_INVARIANT).text())
 
-        self.txtQData.setText(str(self.qstar_total))
-        self.txtQDataErr.setText(self._model.item(WIDGETS.W_INVARIANT_ERR).text())
-
         # Reset progress counters
         self.progress_low_qstar = 0.0
         self.progress_high_qstar = 0.0
-        self.progress_qstar = 100.0
+        self.progress_data_qstar = 100.0
+
+        # Reset numerical values
+        self.txtQData.setText(None)
+        self.txtQDataErr.setText(None)
+        self.txtQLowQ.setText(None)
+        self.txtQLowQErr.setText(None)
+        self.txtQHighQ.setText(None)
+        self.txtQHighQErr.setText(None)
+
+
+        # Q* from data
+        self.qdata = float(self._model.item(WIDGETS.D_DATA_QSTAR).text())
+
+        self.txtQData.setText(str(self.qdata))
+        self.txtQDataErr.setText(self._model.item(WIDGETS.D_DATA_QSTAR_ERR).text())
+        try:
+            self.progress_data_qstar = (self.qdata/self.qstar_total)*100.0
+        except:
+            self.progress_data_qstar = 'error'
 
         # Low-Q
         if self._model.item(WIDGETS.W_ENABLE_LOWQ).text() == "true":
@@ -107,11 +124,6 @@ def showDialog(self):
             except:
                 self.progress_high_qstar = 'error'
 
-        try:
-            self.progress_qstar -= self.progress_low_qstar + self.progress_high_qstar
-        except:
-            self.progress_qstar = 'error'
-
         # check values and display warning
         if self.checkValues():
             self.lblWarning.setText(self.checkValues())
@@ -127,10 +139,10 @@ def showDialog(self):
         else:
             self.progressBarHighQ.setValue(self.progress_high_qstar)
 
-        if self.progress_qstar == 'error':
+        if self.progress_data_qstar == 'error':
             self.progressBarData.setValue(0)
         else:
-            self.progressBarData.setValue(self.progress_qstar)
+            self.progressBarData.setValue(self.progress_data_qstar)
 
         self.show()
 
@@ -149,10 +161,10 @@ def checkValues(self):
             return warning_msg
 
         msg = ''
-        if self.progress_qstar == 'error':
+        if self.progress_data_qstar == 'error':
             msg += 'Error occurred when computing invariant from data.\n '
         try:
-            if float(self.progress_qstar) > 100:
+            if float(self.progress_data_qstar) > 100:
                 msg += "Invariant Q contribution is greater than 100% .\n"
         except ValueError:
             # Text message, skip msg update
@@ -202,4 +214,7 @@ def checkValues(self):
             msg += "The sum of all extrapolated contributions is higher " \
                    "than 5% of the invariant.\n"
 
+        if msg == '':
+            msg = "No Warnings to report\n"
+
         return msg

src/sas/qtgui/Perspectives/Invariant/InvariantPerspective.py

@@ -1,9 +1,7 @@
 # global
-import sys
-import os
 import logging
 import copy
-import webbrowser
+import  numpy as np
 
 from PyQt5 import QtCore
 from PyQt5 import QtGui, QtWidgets
@@ -16,8 +14,6 @@
 from sas.qtgui.Plotting.PlotterData import Data1D
 import sas.qtgui.Utilities.GuiUtils as GuiUtils
 
-# import sas.qtgui.Plotting.PlotHelper as PlotHelper
-
 # local
 from .UI.TabbedInvariantUI import Ui_tabbedInvariantUI
 from .InvariantDetails import DetailsDialog
@@ -53,7 +49,7 @@ def __init__(self, parent=None):
         # initial input params
         self._background = 0.0
         self._scale = 1.0
-        self._contrast = 1.0
+        self._contrast = 8.0e-6
         self._porod = None
 
         self.parent = parent
@@ -222,7 +218,6 @@ def plotResult(self, model):
         # Set the button back to available
         self.cmdCalculate.setEnabled(True)
         self.cmdCalculate.setText("Calculate")
-        self.cmdStatus.setEnabled(True)
 
         self.model = model
         self.mapper.toFirst()
@@ -256,6 +251,8 @@ def calculateThread(self, extrapolation):
         self.updateFromModel()
         msg = ''
 
+        qstar_data = 0.0
+        qstar_data_err = 0.0
         qstar_low = 0.0
         qstar_low_err = 0.0
         qstar_high = 0.0
@@ -292,7 +289,7 @@ def calculateThread(self, extrapolation):
         calculation_failed = False
 
         try:
-            qstar_total, qstar_total_error = inv.get_qstar_with_error()
+            qstar_data, qstar_data_err = inv.get_qstar_with_error()
         except Exception as ex:
             msg += str(ex)
             calculation_failed = True
@@ -301,11 +298,10 @@ def calculateThread(self, extrapolation):
             self.model.setItem(WIDGETS.W_INVARIANT, item)
             item = QtGui.QStandardItem("ERROR")
             self.model.setItem(WIDGETS.W_INVARIANT_ERR, item)
-
         try:
             volume_fraction, volume_fraction_error = \
-                inv.get_volume_fraction_with_error(self._contrast)
-
+                inv.get_volume_fraction_with_error(self._contrast,
+                                                   extrapolation=extrapolation)
         except Exception as ex:
             calculation_failed = True
             msg += str(ex)
@@ -331,8 +327,10 @@ def calculateThread(self, extrapolation):
             surface = None
 
         if (calculation_failed):
+            self.cmdStatus.setEnabled(False)
             logging.warning('Calculation failed: {}'.format(msg))
             return self.model
+        self.cmdStatus.setEnabled(True)
 
         low_calculation_pass = True
         high_calculation_pass = True
@@ -416,8 +414,15 @@ def calculateThread(self, extrapolation):
             reactor.callFromThread(self.updateModelFromThread, WIDGETS.W_SPECIFIC_SURFACE_ERR,
                                    surface_error)
 
+        qstar_total = qstar_data + qstar_low + qstar_high
+        qstar_total_error = np.sqrt(
+            qstar_data_err * qstar_data_err
+            + qstar_low_err * qstar_low_err + qstar_high_err * qstar_high_err)
+
         reactor.callFromThread(self.updateModelFromThread, WIDGETS.W_INVARIANT, qstar_total)
         reactor.callFromThread(self.updateModelFromThread, WIDGETS.W_INVARIANT_ERR, qstar_total_error)
+        reactor.callFromThread(self.updateModelFromThread, WIDGETS.D_DATA_QSTAR, qstar_data)
+        reactor.callFromThread(self.updateModelFromThread, WIDGETS.D_DATA_QSTAR_ERR, qstar_data_err)
         reactor.callFromThread(self.updateModelFromThread, WIDGETS.D_LOW_QSTAR, qstar_low)
         reactor.callFromThread(self.updateModelFromThread, WIDGETS.D_LOW_QSTAR_ERR, qstar_low_err)
         reactor.callFromThread(self.updateModelFromThread, WIDGETS.D_HIGH_QSTAR, qstar_high)

src/sas/qtgui/Perspectives/Invariant/InvariantUtils.py

@@ -29,8 +29,8 @@
                 'W_INVARIANT',
                 'W_INVARIANT_ERR',
                 # for the details widget
-                'D_TOTAL_QSTAR',
-                'D_TOTAL_QSTAR_ERR',
+                'D_DATA_QSTAR',
+                'D_DATA_QSTAR_ERR',
                 'D_LOW_QSTAR',
                 'D_LOW_QSTAR_ERR',
                 'D_HIGH_QSTAR',

src/sas/qtgui/Perspectives/Invariant/UI/InvariantDetailsUI.ui

@@ -89,6 +89,9 @@
         <property name="toolTip">
          <string>Extrapolated invariant from low-Q range.</string>
         </property>
+        <property name="readOnly">
+         <bool>true</bool>
+        </property>
        </widget>
       </item>
       <item row="0" column="2">
@@ -103,6 +106,9 @@
         <property name="toolTip">
          <string>Uncertainty on the invariant from low-Q range.</string>
         </property>
+        <property name="readOnly">
+         <bool>true</bool>
+        </property>
        </widget>
       </item>
       <item row="0" column="4">
@@ -124,6 +130,9 @@
         <property name="toolTip">
          <string>Invariant in the data set's Q range.</string>
         </property>
+        <property name="readOnly">
+         <bool>true</bool>
+        </property>
        </widget>
       </item>
       <item row="1" column="2">
@@ -138,6 +147,9 @@
         <property name="toolTip">
          <string>Uncertainty on the invariant from data's range.</string>
         </property>
+        <property name="readOnly">
+         <bool>true</bool>
+        </property>
        </widget>
       </item>
       <item row="1" column="4">
@@ -159,6 +171,9 @@
         <property name="toolTip">
          <string>Extrapolated invariant from high-Q range.</string>
         </property>
+        <property name="readOnly">
+         <bool>true</bool>
+        </property>
        </widget>
       </item>
       <item row="2" column="2">
@@ -173,6 +188,9 @@
         <property name="toolTip">
          <string>Uncertainty on the invariant from high-Q range.</string>
         </property>
+        <property name="readOnly">
+         <bool>true</bool>
+        </property>
        </widget>
       </item>
       <item row="2" column="4">

src/sas/qtgui/Perspectives/Invariant/UI/TabbedInvariantUI.ui

@@ -6,8 +6,8 @@
    <rect>
     <x>0</x>
     <y>0</y>
-    <width>422</width>
-    <height>473</height>
+    <width>544</width>
+    <height>489</height>
    </rect>
   </property>
   <property name="sizePolicy">
@@ -143,6 +143,9 @@
                  <property name="enabled">
                   <bool>true</bool>
                  </property>
+                 <property name="readOnly">
+                  <bool>true</bool>
+                 </property>
                 </widget>
                </item>
                <item>
@@ -157,6 +160,9 @@
                  <property name="enabled">
                   <bool>true</bool>
                  </property>
+                 <property name="readOnly">
+                  <bool>true</bool>
+                 </property>
                 </widget>
                </item>
                <item>

src/sas/qtgui/Perspectives/Invariant/UnitTesting/InvariantPerspectiveTest.py

@@ -101,7 +101,7 @@ def testDefaults(self):
         self.assertEqual(self.widget.txtTotalQMax.text(), '0.0')
         self.assertEqual(self.widget.txtBackgd.text(), '0.0')
         self.assertEqual(self.widget.txtScale.text(), '1.0')
-        self.assertEqual(self.widget.txtContrast.text(), '1.0')
+        self.assertEqual(self.widget.txtContrast.text(), '8e-06')
         self.assertEqual(self.widget.txtExtrapolQMin.text(), '1e-05')
         self.assertEqual(self.widget.txtExtrapolQMax.text(), '10')
         self.assertEqual(self.widget.txtPowerLowQ.text(), '4')