Changeset 1315 for trunk/GSASIIpwdGUI.py

Timestamp:

May 1, 2014 3:20:21 PM (9 years ago)

Author:

vondreele

Message:

new controls parameter 'Contrast' & remove Substances from arguments list

File:

• trunk/GSASIIpwdGUI.py (modified) (12 diffs)

trunk/GSASIIpwdGUI.py

@@ -2684 +2684 @@
             data['Particle']['Levels'].append({
                 'Controls':{'FormFact':'Sphere','DistType':'LogNormal','Material':material,
-                    'FFargs':{},'SFargs':{},'NumPoints':50,'Cutoff':0.01,
+                    'FFargs':{},'SFargs':{},'NumPoints':50,'Cutoff':0.01,'Contrast':0.0,
                     'SlitSmear':[0.0,False],'StrFact':'Dilute'},    #last 2 not used - future?
                 'LogNormal':{'Volume':[0.05,False],'Mean':[1000.,False],'StdDev':[0.5,False],'MinSize':[10.,False],},
@@ -2696 +2696 @@
                     'PkSig':[10,False],'PkGam':[10,False],},        #reasonable 31A peak
                 })
-            G2sasd.ModelFxn(Profile,ProfDict,Limits,Substances,Sample,data)
+            G2sasd.ModelFxn(Profile,ProfDict,Limits,Sample,data)
             RefreshPlots(True)
                     
@@ -2789 +2789 @@
                 ILimits = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Limits'))
                 IInst = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Instrument Parameters'))
-                ISubstances = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Substances'))
-                IfOK,result,varyList,sig,Rvals,covMatrix = G2sasd.ModelFit(IProfile,IProfDict,ILimits,ISubstances,ISample,IModel)
+#                ISubstances = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Substances'))
+                IfOK,result,varyList,sig,Rvals,covMatrix = G2sasd.ModelFit(IProfile,IProfDict,ILimits,ISample,IModel)
                 if not IfOK:
                     G2frame.ErrorDialog('Failed sequential refinement for data '+name,
@@ -2799 +2799 @@
                     break
                 
-                G2sasd.ModelFxn(IProfile,IProfDict,ILimits,ISubstances,ISample,IModel)
+                G2sasd.ModelFxn(IProfile,IProfDict,ILimits,ISample,IModel)
                 SeqResult[name] = {'variables':result[0],'varyList':varyList,'sig':sig,'Rvals':Rvals,
                     'covMatrix':covMatrix,'title':name}
@@ -2822 +2822 @@
                     ' Do Substances and then Sample parameters')
                 return
-            G2sasd.SizeDistribution(Profile,ProfDict,Limits,Substances,Sample,data)
+            G2sasd.SizeDistribution(Profile,ProfDict,Limits,Sample,data)
             G2plt.PlotSASDSizeDist(G2frame)
             RefreshPlots(True)
@@ -2828 +2828 @@
         elif data['Current'] == 'Particle fit':
             SaveState()
-            if not G2sasd.ModelFit(Profile,ProfDict,Limits,Substances,Sample,data)[0]:
+            if not G2sasd.ModelFit(Profile,ProfDict,Limits,Sample,data)[0]:
                 G2frame.ErrorDialog('Failed refinement',
                     'You need to rethink your selection of parameters\n'+    \
                     ' Model restored to previous version')
-            G2sasd.ModelFxn(Profile,ProfDict,Limits,Substances,Sample,data)
+            G2sasd.ModelFxn(Profile,ProfDict,Limits,Sample,data)
             RefreshPlots(True)
             wx.CallAfter(UpdateModelsGrid,G2frame,data)
@@ -2842 +2842 @@
         G2frame.dataFrame.SasdUndo.Enable(False)
         UpdateModelsGrid(G2frame,data)
-        G2sasd.ModelFxn(Profile,ProfDict,Limits,Substances,Sample,data)
+        G2sasd.ModelFxn(Profile,ProfDict,Limits,Sample,data)
         RefreshPlots(True)
 
@@ -3031 +3031 @@
                 sldrObj.SetRange(slMult*valMinMax[0],slMult*valMinMax[1])
                 sldrObj.SetValue(slMult*logv)
-            G2sasd.ModelFxn(Profile,ProfDict,Limits,Substances,Sample,data)
+            G2sasd.ModelFxn(Profile,ProfDict,Limits,Sample,data)
             RefreshPlots()
             
@@ -3044 +3044 @@
                     item['SFargs'] = StructureFactors[Obj.GetValue()]
                 wx.CallAfter(UpdateModelsGrid,G2frame,data)
-                G2sasd.ModelFxn(Profile,ProfDict,Limits,Substances,Sample,data)
+                G2sasd.ModelFxn(Profile,ProfDict,Limits,Sample,data)
                 RefreshPlots()
                 
@@ -3052 +3052 @@
             del data['Particle']['Levels'][item]
             wx.CallAfter(UpdateModelsGrid,G2frame,data)
-            G2sasd.ModelFxn(Profile,ProfDict,Limits,Substances,Sample,data)
+            G2sasd.ModelFxn(Profile,ProfDict,Limits,Sample,data)
             RefreshPlots()
             
@@ -3065 +3065 @@
             item[key][0] = value
             pvObj.SetValue('%.3g'%(item[key][0]))
-            G2sasd.ModelFxn(Profile,ProfDict,Limits,Substances,Sample,data)
+            G2sasd.ModelFxn(Profile,ProfDict,Limits,Sample,data)
             RefreshPlots()
             
@@ -3096 +3096 @@
                 sizeSizer.Add(matSel,0,WACV) #do neutron test here?
                 rho = Substances['Substances'][level['Controls']['Material']].get('XAnom density',0.0)
-                contrast = (rho-rhoMat)**2
+                level['Controls']['Contrast'] = contrast = (rho-rhoMat)**2                 
                 sizeSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Resonant X-ray contrast: '),0,WACV)
                 sizeSizer.Add(wx.StaticText(G2frame.dataDisplay,label='  %.2f 10%scm%s'%(contrast,Pwr20,Pwrm4)),0,WACV)