Changeset 4345

Timestamp:

Mar 6, 2020 3:05:22 PM (4 years ago)

Author:

toby

Message:

Add more image settings to preferences; prevent save of config.py after "no save"

Location:

trunk

Files:

• G2compare.py (modified) (3 diffs)
• GSASIIIO.py (modified) (1 diff)
• GSASIIautoInt.py (modified) (1 diff)
• GSASIIctrlGUI.py (modified) (9 diffs)
• GSASIIimgGUI.py (modified) (1 diff)
• config_example.py (modified) (2 diffs)

trunk/G2compare.py

@@ -278 +278 @@
         wx.CallAfter(oldmenu.Destroy)
         if self.getMode() == "Histogram":
-            pass
+            item = modeMenu.Append(wx.ID_ANY,'Prince test')
+            self.Bind(wx.EVT_MENU, self.onHistPrinceTest, id=item.GetId())
         elif self.getMode() == "Phase":
             pass
@@ -568 +569 @@
             item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
         if len(items) < 2:
-            G2G.G2MessageBox(self,'F-test requires two more more projects','Need more projects')
+            G2G.G2MessageBox(self,'F-test requires two projects','Need more projects')
             return
         elif len(items) == 2:
@@ -666 +667 @@
         msg += postmsg
         G2G.G2MessageBox(self,msg,'F-test result')
-    
+        
+    def onHistPrinceTest(self,event):
+        '''Compare two histograms (selected here if more than two are present)
+        using the statistical test proposed by Ted Prince in 
+        Acta Cryst. B35 1099-1100. (1982). Also see Int. Tables Vol. C 
+        (1st Ed.) chapter 8.4, 618-621 (1995).
+        '''
+        items = []
+        item, cookie = self.GPXtree.GetFirstChild(self.root)
+        while item:
+            items.append(item)
+            item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
+
+        if len(items) < 2:
+            G2G.G2MessageBox(self,'Prince test requires two histograms','Need more')
+            return
+        elif len(items) == 2:
+            s0,s1 = items
+        else:
+            # need to make selection here
+            sel = []
+            for i in items:
+                sel.append(self.GPXtree.GetItemText(i))
+            dlg = G2G.G2SingleChoiceDialog(self,'Select one refinement',
+                                             'Choose refinement',sel)
+            if dlg.ShowModal() == wx.ID_OK:
+                s0 = dlg.GetSelection()
+                dlg.Destroy()
+            else:
+                dlg.Destroy()
+                return
+            inds = list(range(len(items)))
+            del sel[s0]
+            del inds[s0]
+            dlg = G2G.G2SingleChoiceDialog(self,'Select comparison refinement',
+                                             'Choose refinement',sel)
+            if dlg.ShowModal() == wx.ID_OK:
+                s1 = dlg.GetSelection()
+                s1 = inds[s1]
+                dlg.Destroy()
+            else:
+                dlg.Destroy()
+                return
+        model0 = self.GPXtree.GetItemPyData(s0)
+        data0 = model0[1]
+        model1 = self.GPXtree.GetItemPyData(s1)
+        data1 = model1[1]
+        if len(data0[0]) != len(data1[0]):
+            G2G.G2MessageBox(self,'Unable to test: differing numbers of data points','Comparison not valid')
+            return
+        if max(abs((data0[0]-data1[0])/data0[0])) > 0.01:
+            G2G.G2MessageBox(self,'Unable to use test: "X" values differ','Comparison not valid')
+            return
+        X = data0[3] - data1[3]
+        #Z = np.sqrt(data0[3]) * (data0[1] - (data0[3] + data1[3])/2)
+        X = (data0[3] - data1[3]) / np.sqrt(data0[1])
+        Z = (data0[1] - (data0[3] + data1[3])/2) / np.sqrt(data0[1])
+        lam = np.sum(X*Z) / np.sum(X)
+        sig = np.sqrt(
+            (np.sum(Z*Z) - lam*lam*np.sum(X*X)) / 
+            ((len(data0[0]) - 1) * np.sum(X*X))
+            )
+            
+    0 the x-postions (two-theta in degrees),
+    1 the intensity values (Yobs),
+    2 the weights for each Yobs value
+    3 the computed intensity values (Ycalc)
+    4 the background values
+    5 Yobs-Ycalc
+        
+        GSASIIpath.IPyBreak_base()
+                
+#======================================================================    
 if __name__ == '__main__':
     #if sys.platform == "darwin": 

trunk/GSASIIIO.py

@@ -345 +345 @@
         Data['calibrant'] = ''
         Data['IOtth'] = [5.0,50.0]
+        if GSASIIpath.GetConfigValue('Image_2theta_min'):
+            try:
+                Data['IOtth'][0] = float(GSASIIpath.GetConfigValue('Image_2theta_min'))
+            except:
+                pass
+        if GSASIIpath.GetConfigValue('Image_2theta_max'):
+            try:
+                Data['IOtth'][1] = float(GSASIIpath.GetConfigValue('Image_2theta_max'))
+            except:
+                pass
         Data['LRazimuth'] = [0.,180.]
         Data['azmthOff'] = 0.0

trunk/GSASIIautoInt.py

@@ +1 @@
+#!/usr/bin/env python
+# -*- coding: utf-8 -*-
+#GSAS-II autointegration routines
+########### SVN repository information ###################
+# $Date: $
+# $Author: $
+# $Revision: $
+# $URL: $
+# $Id: $
+########### SVN repository information ###################
 '''
 *GSASIIautoint: autointegration routines*

trunk/GSASIIctrlGUI.py

@@ -1070 +1070 @@
     :param wx.Panel parent: the parent to the :class:`~wxpython.ComboBox` (usually a
       frame or panel)
-    :param dict dct: a dict (or list) to contain the value set
+    :param dct: a dict or list to contain the value set
       for the :class:`~wxpython.ComboBox`.
     :param item: the dict key (or list index) where ``dct[item]`` will 
@@ -1094 +1094 @@
       The default for :data:`values` is to use the same list as
       specified for :data:`choices`.
+    :param function onChange: an optional routine that will be called
+      when the  
+      :class:`~wxpython.ComboBox` can be specified.
     :param (other): additional keyword arguments accepted by
       :class:`~wxpython.ComboBox` can be specified.
     '''
-    def __init__(self,parent,dct,item,choices,values=None,**kw):
+    def __init__(self,parent,dct,item,choices,values=None,OnChange=None,**kw):
         if values is None:
             values = choices
@@ -1113 +1116 @@
         self.dct = dct
         self.item = item
+        self.OnChange = OnChange
         self.Bind(wx.EVT_COMBOBOX, self.onSelection)
     def onSelection(self,event):
@@ -1120 +1124 @@
         else:
             self.dct[self.item] = self.values[0] # unknown
+        if self.OnChange: self.OnChange(event)
 
 ################################################################################
@@ -4707 +4712 @@
     return d
 
+inhibitSave = False
 def SaveConfigVars(vars,parent=None):
     '''Write the current config variable values to config.py
@@ -4716 +4722 @@
     :returns: True if unable to write the file, None otherwise
     '''
+    if inhibitSave:
+        if GSASIIpath.GetConfigValue('debug'):
+            print('inhibitSave prevents saving configuration')
+        return
+
     # try to write to where an old config file is located
     try:
@@ -4878 +4889 @@
         GSASIIpath.SetConfigValue(self.vars)
         self.EndModal(wx.ID_OK)
+        global inhibitSave
+        if event is not None: inhibitSave = True
         import GSASIImpsubs as G2mp
         G2mp.ResetMP()
@@ -4885 +4898 @@
         as the current settings
         '''
+        global inhibitSave
+        inhibitSave = False
         if not SaveConfigVars(self.vars,parent=self):
             self.OnApplyChanges() # force a reload of the config settings
@@ -4963 +4978 @@
                     style=wx.CB_READONLY|wx.CB_DROPDOWN)
                 self.colSel.Bind(wx.EVT_COMBOBOX, OnNewColorBar)
+                self.varsizer.Add(self.colSel, 0, wx.ALIGN_CENTRE|wx.ALL, 5)
+            elif var == 'Image_calibrant':
+                import ImageCalibrants as calFile
+                calList = sorted([m for m in calFile.Calibrants.keys()],
+                                     key=lambda s: s.lower())
+                self.colSel = EnumSelector(self,self.vars[var],1,calList,
+                                               OnChange=self.OnChange)       
                 self.varsizer.Add(self.colSel, 0, wx.ALIGN_CENTRE|wx.ALL, 5)
             else:

trunk/GSASIIimgGUI.py

@@ -1337 +1337 @@
         comboSizer = wx.BoxSizer(wx.HORIZONTAL)    
         comboSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label=' Calibrant '),0,WACV)
+        if (GSASIIpath.GetConfigValue('Image_calibrant') and
+                    GSASIIpath.GetConfigValue('Image_calibrant') in calList and
+                    not data['calibrant']):
+            data['calibrant'] = GSASIIpath.GetConfigValue('Image_calibrant')
         calSel = wx.ComboBox(parent=G2frame.dataWindow,value=data['calibrant'],choices=calList,
             style=wx.CB_READONLY|wx.CB_DROPDOWN)

trunk/config_example.py

@@ -127 +127 @@
 
 Autoscale_ParmNames = ['userComment2',r'extraInputs\1\extraInputs','Ion_Chamber_I0',]
+'''Gives the possible selection of incident monitor names as found in an image metadata file.
+Used in AutoIntegration
+'''
 DefaultAutoScale = "userComment2"
-'''Gives the possible selection of incident monitor names as found in an image metadata file.
-DefaultAutoScale must be one of the AutoScale_ParmNames
+'''DefaultAutoScale selects one of the AutoScale_ParmNames.
 Used in AutoIntegration
 '''
@@ -204 +206 @@
 '''A list of previously used .gpx files
 '''
+
+Image_calibrant = ''
+''' Specifies a default calibrant material for images. Will be applied for 
+newly-read images, but if changed the specified material will be saved.
+'''
+
+Image_2theta_min = 5.0
+''' Specifies a default 2-theta minimum used for calibration and integration
+as the Inner 2-theta value. Will be applied for 
+newly-read images, but if changed the new value will be saved.
+'''
+
+Image_2theta_max = 50.0
+''' Specifies a default 2-theta maximum used for calibration and integration
+as the Outer 2-theta value. Will be applied for 
+newly-read images, but if changed the new value will be saved.
+'''