Changeset 4339

Timestamp:

Mar 3, 2020 3:01:43 PM (4 years ago)

Author:

toby

Message:

set svn flags; improve compare F-test & add info & covariance plot

Location:

trunk

Files:

• Absorb.py (modified) (1 diff, 2 props)
• G2AutoInt.py (modified) (1 diff, 1 prop)
• G2compare.py (modified) (8 diffs, 1 prop)
• G2shapes.py (modified) (2 props)
• imports/G2img_SFRM.py (modified) (2 diffs, 2 props)
• imports/G2pdf_gr.py (modified) (2 diffs, 2 props)
• imports/G2phase_INS.py (modified) (2 diffs, 2 props)
• imports/G2phase_rmc6f.py (modified) (2 diffs, 2 props)
• imports/G2pwd_BrukerRAW.py (modified) (2 diffs, 2 props)
• imports/G2pwd_FP.py (modified) (2 diffs, 2 props)
• imports/G2pwd_Panalytical.py (modified) (2 diffs, 2 props)
• imports/G2pwd_rigaku.py (modified) (2 diffs, 1 prop)
• imports/G2rfd_Panalytical.py (modified) (2 diffs, 2 props)
• imports/G2rfd_xye.py (modified) (2 diffs, 2 props)

trunk/Absorb.py

@@ -12 +12 @@
 import matplotlib as mpl
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: 3765 $")
+GSASIIpath.SetVersionNumber("$Revision$")
 import GSASIIElem as G2elem
 import GSASIIElemGUI as G2elemGUI

trunk/G2AutoInt.py

@@ -17 +17 @@
 import wx
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: $")
+GSASIIpath.SetVersionNumber("$Revision$")
 import GSASIIautoInt as G2imG
 import GSASIIfiles as G2fil

trunk/G2compare.py

@@ -3 +3 @@
 #GSAS-II Data/Model Comparison
 ########### SVN repository information ###################
-# $Date: $
-# $Author: toby $
-# $Revision: $
-# $URL: $
-# $Id: $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 '''
@@ -14 +14 @@
 '''
 
-#TODO: in OnDataTreeSelChanged want to plot patterns
-# Make PWDR unique (use histlist)
-# add graphics
-# implement project
+#TODO:
+# Prince-test next
+# Make PWDR unique? (use histlist)
+# more graphics
+# display more in datawindow
 
 import sys
@@ -41 +42 @@
 
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: 4154 $")
+GSASIIpath.SetVersionNumber("$Revision$")
 import GSASIIfiles as G2fil
 import GSASIIplot as G2plt
@@ -132 +133 @@
         wx.Frame.__init__(self, name='dComp', parent=parent,
             size=size,style=wx.DEFAULT_FRAME_STYLE, title='GSAS-II data/model comparison')
+        # misc vars
+        self.VcovColor = 'RdYlGn'        
         # plot window
+        try:
+            size = GSASIIpath.GetConfigValue('Plot_Size')
+            if type(size) is tuple:
+                pass
+            elif type(size) is str:
+                size = eval(size)
+            else:
+                raise Exception
+        except:
+            size = wx.Size(700,600)                
         self.plotFrame = wx.Frame(None,-1,'dComp Plots',size=size,
             style=wx.DEFAULT_FRAME_STYLE ^ wx.CLOSE_BOX)
@@ -208 +221 @@
 
         self.PWDRfilter = None
+        for win,var in ((self.plotFrame,'Plot_Pos'),):
+        #for win,var in ((self,'Main_Pos'),(self.plotFrame,'Plot_Pos')):
+            try:
+                pos = GSASIIpath.GetConfigValue(var)
+                if type(pos) is str: pos = eval(pos)
+                win.SetPosition(pos)
+                if GetDisplay(pos) is None: win.Center()
+            except:
+                if GSASIIpath.GetConfigValue(var):
+                    print('Value for config {} {} is invalid'.format(var,GSASIIpath.GetConfigValue(var)))
+                    win.Center()
         self.SetModeMenu()
         
@@ -467 +491 @@
             wx.EndBusyCursor()
         self.GPXtree.Expand(self.root)
-        
+
     def OnDataTreeSelChanged(self,event):
+        def ClearData(self):
+            '''Initializes the contents of the dataWindow panel
+            '''
+            self.Unbind(wx.EVT_SIZE)
+            self.SetBackgroundColour(wx.Colour(240,240,240))
+            Sizer = self.GetSizer()
+            if Sizer:
+                try:
+                    Sizer.Clear(True)
+                except:
+                    pass
+        G2frame = self
         item = event.GetItem()
-        print('selected',item)
+        #print('selected',item)
+        if self.getMode() == "Project":
+            ClearData(G2frame.dataWindow)
+            data = G2frame.GPXtree.GetItemPyData(item)
+            if data is None:
+                self.plotFrame.Show(False)
+                return
+            text = ''
+            if 'Rvals' in data:
+                Nvars = len(data['varyList'])
+                Rvals = data['Rvals']
+                text = ('Residuals after last refinement:\n'+
+                        '\twR = {:.3f}\n\tchi**2 = {:.1f}\n\tGOF = {:.2f}').format(
+                        Rvals['Rwp'],Rvals['chisq'],Rvals['GOF'])
+                text += '\n\tNobs = {}\n\tNvals = {}\n\tSVD zeros = {}'.format(
+                    Rvals['Nobs'],Nvars,Rvals.get('SVD0',0.))
+                text += '\n\tmax shift/esd = {:.3f}'.format(Rvals.get('Max shft/sig',0.0))
+                if 'lamMax' in Rvals:
+                    text += '\n\tlog10 MaxLambda = {:.1f}'.format(np.log10(Rvals['lamMax']))
+                G2frame.dataWindow.GetSizer().Add(
+                    wx.StaticText(G2frame.dataWindow,wx.ID_ANY,text)
+                )
+                self.plotFrame.Show(True)
+                G2plt.PlotCovariance(G2frame,data)
+        else:
+            self.plotFrame.Show(False)
+            ClearData(G2frame.dataWindow)
         
         #print(self.GPXtree._getTreeItemsList(item))
@@ -557 +619 @@
             G2G.G2MessageBox(self,'F-test requires same number of observations in each refinement','F-test not valid')
             return
+        missingVars = []
+        for var in baseDict['varyList']: 
+            if var not in relxDict['varyList']: 
+                missingVars.append(var)
+        txt = ''
+        postmsg = ''
+        if missingVars:
+            txt = ('*** Possible invalid use of F-test: '+
+                'The F-test requires that the constrained model be a subset '+
+                'of the relaxed model. Review the parameters shown below to '+
+                'confirm missing var(s) have new names in the relaxed model. '+
+                '***\n\n')
+            postmsg = ('\n\nThese parameters are in the constrained '+
+              'fit and are not in the relaxed fit:\n*  ')
+            for i,var in enumerate(missingVars):
+                if i > 0: postmsg += ', '
+                postmsg += var
+            postmsg += ('\nThese parameters are in the relaxed fit and not'+
+                ' in the constrained fit:\n*  ')
+            i = 0
+            for var in relxDict['varyList']: 
+                if var not in baseDict['varyList']: 
+                    if i > 0: postmsg += ', '
+                    i += 1
+                    postmsg += var
+        #GSASIIpath.IPyBreak_base()
         prob = RwFtest(baseDict['Rvals']['Nobs'],
                    baseDict['Rvals']['GOF'],len(baseDict['varyList']),
                    relxDict['Rvals']['GOF'],len(relxDict['varyList']))
         fmt = "{} model is \n*  {}\n*  {} variables and Reduced Chi**2 = {:.3f}"
-        msg = fmt.format('Constrained',self.GPXtree.GetItemText(s0)[:-11],
+        msg = txt
+        msg += fmt.format('Constrained',self.GPXtree.GetItemText(s0)[:-11],
                        len(baseDict['varyList']),
                        baseDict['Rvals']['GOF']**2)
@@ -575 +664 @@
         else:
             msg += "The constrained model is statistically preferred to the relaxed model."
+        msg += postmsg
         G2G.G2MessageBox(self,msg,'F-test result')
-        #GSASIIpath.IPyBreak_base()
     
 if __name__ == '__main__':

trunk/imports/G2img_SFRM.py

@@ -1 +1 @@
 # -*- coding: utf-8 -*-
 ########### SVN repository information ###################
-# $Date: 2017-12-26 20:18:10 -0600 (Tue, 26 Dec 2017) $
-# $Author: toby $
-# $Revision: 3207 $
-# $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/imports/G2img_CBF.py $
-# $Id: G2img_CBF.py 3207 2017-12-27 02:18:10Z toby $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 '''
@@ -18 +18 @@
 import GSASIIpath
 import numpy as np
-GSASIIpath.SetVersionNumber("$Revision: 3207 $")
+GSASIIpath.SetVersionNumber("$Revision$")
 class SFRM_ReaderClass(G2obj.ImportImage):
     '''Routine to read a Read Bruker Advance image data .sfrm file.

trunk/imports/G2pdf_gr.py

@@ -1 +1 @@
 # -*- coding: utf-8 -*-
 ########### SVN repository information ###################
-# $Date: 2017-03-04 08:34:05 -0600 (Sat, 04 Mar 2017) $
-# $Author: vondreele $
-# $Revision: 2738 $
-# $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/imports/G2sad_xye.py $
-# $Id: G2sad_xye.py 2738 2017-03-04 14:34:05Z vondreele $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 '''
@@ -21 +21 @@
 import GSASIIobj as G2obj
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: 2738 $")
+GSASIIpath.SetVersionNumber("$Revision$")
 
 class txt_PDFReaderClass(G2obj.ImportPDFData):

trunk/imports/G2phase_INS.py

@@ -1 +1 @@
 # -*- coding: utf-8 -*-
 ########### SVN repository information ###################
-# $Date: 2015-04-27 13:22:06 -0500 (Mon, 27 Apr 2015) $
-# $Author: vondreele $
-# $Revision: 1812 $
-# $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/imports/G2phase_GPX.py $
-# $Id: G2phase_GPX.py 1812 2015-04-27 18:22:06Z vondreele $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 '''
@@ -23 +23 @@
 import GSASIIlattice as G2lat
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: 1812 $")
+GSASIIpath.SetVersionNumber("$Revision$")
 
 class PhaseReaderClass(G2obj.ImportPhase):

trunk/imports/G2phase_rmc6f.py

@@ -1 +1 @@
 # -*- coding: utf-8 -*-
 ########### SVN repository information ###################
-# $Date: 2015-04-27 13:22:06 -0500 (Mon, 27 Apr 2015) $
-# $Author: vondreele $
-# $Revision: 1812 $
-# $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/imports/G2phase_GPX.py $
-# $Id: G2phase_GPX.py 1812 2015-04-27 18:22:06Z vondreele $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 '''
@@ -24 +24 @@
 import GSASIIctrlGUI as G2G
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: 1812 $")
+GSASIIpath.SetVersionNumber("$Revision$")
 
 class PhaseReaderClass(G2obj.ImportPhase):

trunk/imports/G2pwd_BrukerRAW.py

@@ -1 +1 @@
 # -*- coding: utf-8 -*-
 ########### SVN repository information ###################
-# $Date: 2014-12-27 11:14:59 -0600 (Sat, 27 Dec 2014) $
-# $Author: vondreele $
-# $Revision: 1620 $
-# $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/imports/G2pwd_xye.py $
-# $Id: G2pwd_xye.py 1620 2014-12-27 17:14:59Z vondreele $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 '''
@@ -21 +21 @@
 import GSASIIobj as G2obj
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: 1620 $")
+GSASIIpath.SetVersionNumber("$Revision$")
 class raw_ReaderClass(G2obj.ImportPowderData):
     'Routines to import powder data from a binary Bruker .RAW file'

trunk/imports/G2pwd_FP.py

@@ -1 +1 @@
 # -*- coding: utf-8 -*-
 ########### SVN repository information ###################
-# $Date: 2014-12-27 11:14:59 -0600 (Sat, 27 Dec 2014) $
-# $Author: vondreele $
-# $Revision: 1620 $
-# $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/imports/G2pwd_xye.py $
-# $Id: G2pwd_xye.py 1620 2014-12-27 17:14:59Z vondreele $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 '''
@@ -20 +20 @@
 import GSASIIobj as G2obj
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: 1620 $")
+GSASIIpath.SetVersionNumber("$Revision$")
 class fp_ReaderClass(G2obj.ImportPowderData):
     'Routines to import powder data from a FullProf 1-10 column .dat file'

trunk/imports/G2pwd_Panalytical.py

@@ -1 +1 @@
 # -*- coding: utf-8 -*-
 ########### SVN repository information ###################
-# $Date: $
-# $Author: von dreele $
-# $Revision: $
-# $URL: $
-# $Id: $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 
@@ -14 +14 @@
 import GSASIIobj as G2obj
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: $")
+GSASIIpath.SetVersionNumber("$Revision$")
 class Panalytical_ReaderClass(G2obj.ImportPowderData):
     '''Routines to import powder data from a Pananalytical.xrdm (xml) file. 

trunk/imports/G2pwd_rigaku.py

@@ -1 +1 @@
 # -*- coding: utf-8 -*-
 ########### SVN repository information ###################
-# $Date: $
-# $Author: toby $
-# $Revision: $
-# $URL: $
-# $Id: $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 
@@ -14 +14 @@
 import GSASIIobj as G2obj
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: $")
+GSASIIpath.SetVersionNumber("$Revision$")
 class Rigaku_txtReaderClass(G2obj.ImportPowderData):
     '''Routines to import powder data from a Rigaku .txt file with an angle and

trunk/imports/G2rfd_Panalytical.py

@@ -1 +1 @@
 # -*- coding: utf-8 -*-
 ########### SVN repository information ###################
-# $Date: $
-# $Author: von dreele $
-# $Revision: $
-# $URL: $
-# $Id: $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 
@@ -15 +15 @@
 import GSASIIpath
 sind = lambda x: np.sin(x*np.pi/180.)
-GSASIIpath.SetVersionNumber("$Revision: $")
+GSASIIpath.SetVersionNumber("$Revision$")
 class Panalytical_ReaderClass(G2obj.ImportReflectometryData):
     '''Routines to import reflectivity data from a Pananalytical.xrdm (xml) file. 

trunk/imports/G2rfd_xye.py

@@ -1 +1 @@
 # -*- coding: utf-8 -*-
 ########### SVN repository information ###################
-# $Date: 2017-03-04 08:34:05 -0600 (Sat, 04 Mar 2017) $
-# $Author: vondreele $
-# $Revision: 2738 $
-# $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/imports/G2sad_xye.py $
-# $Id: G2sad_xye.py 2738 2017-03-04 14:34:05Z vondreele $
+# $Date$
+# $Author$
+# $Revision$
+# $URL$
+# $Id$
 ########### SVN repository information ###################
 '''
@@ -21 +21 @@
 import GSASIIobj as G2obj
 import GSASIIpath
-GSASIIpath.SetVersionNumber("$Revision: 2738 $")
+GSASIIpath.SetVersionNumber("$Revision$")
 npasind = lambda x: 180.*np.arcsin(x)/np.pi
 npsind = lambda x: np.sin(np.pi*x/180.)