Changeset 793

Timestamp:

Oct 24, 2012 9:38:52 AM (10 years ago)

Author:

vondreele

Message:

more iparm fixes

Location:

trunk

Files:

• GSASII.py (modified) (5 diffs)
• GSASIIIO.py (modified) (4 diffs)

trunk/GSASII.py

@@ -557 +557 @@
             S = File.readline()                
         File.close()
-        return dict(zip(newItems,zip(newVals,newVals,len(newVals)*[False,])))
+        inst = dict(zip(newItems,zip(newVals,newVals,len(newVals)*[False,])))
+        for item in inst:
+            inst[item] = list(inst[item])
+        return inst
         
     def ReadPowderIparm(self,instfile,bank,databanks,rd):
@@ -655 +658 @@
                     data.extend([0.0,0.0,0.002,azm])                                      #OK defaults if fxn #3 not 1st in iprm file
                 codes.extend([0,0,0,0,0,0,0])
-                return dict(zip(names,zip(data,data,codes)))
+                inst = dict(zip(names,zip(data,data,codes)))
+                for item in inst:
+                    inst[item] = list(inst[item])
+                return inst
             elif 'T' in DataType:
                 names = ['Type','2-theta','difC','difA','Zero','alpha','beta-0','beta-1','var-inst','X','Y','Azimuth']
@@ -682 +688 @@
                         s = Iparm['INS  1PRCF12'].split()
                         data.extend([G2IO.sfloat(s[0]),0.0,0.0,azm])
-                return dict(zip(names,zip(data,data,codes)))
+                inst = dict(zip(names,zip(data,data,codes)))
+                for item in inst:
+                    inst[item] = list(inst[item])
+                return inst
 
         # stuff we might need from the reader
@@ -1119 +1128 @@
                 data = ['PKS',Cuka,0.0]
                 names = ['Type','Lam','Zero'] 
-                codes = [0,0]
-                self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='Instrument Parameters'),dict(zip(names,zip(data,data,codes))))
+                codes = [0,0,0]
+                inst = dict(zip(names,zip(data,data,codes)))
+                for item in inst:
+                    inst[item] = list(inst[item])
+            self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='Instrument Parameters'),inst)
                 self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='Comments'),comments)
                 self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='Index Peak List'),peaks)
@@ -1430 +1442 @@
         SumList = []
         Names = []
-        Inst = []
+        Inst = {}
         SumItemList = []
         Comments = ['Sum equals: \n']

trunk/GSASIIIO.py

@@ -496 +496 @@
     Comments = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Comments'))
     names = ['Type','Lam','Zero','Polariz.','U','V','W','X','Y','SH/L','Azimuth'] 
-    codes = [0 for i in range(11)]
+    codes = [0 for i in range(12)]
     LRazm = data['LRazimuth']
     Azms = []
@@ -522 +522 @@
             G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Background'),[['chebyschev',1,3,1.0,0.0,0.0],
                             {'nDebye':0,'debyeTerms':[],'nPeaks':0,'peaksList':[]}])
-            G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Instrument Parameters'),dict(zip(names,zip(parms,parms,codes))))
+            inst = dict(zip(names,zip(parms,parms,codes)))
+            for item in inst:
+                inst[item] = list(inst[item])
+            G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Instrument Parameters'),inst)
             G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Peak List'),[])
             G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Index Peak List'),[])
@@ -554 +557 @@
         Inst = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame, \
             PickId, 'Instrument Parameters'))
-        print Inst['Type']
         prm.write( '            123456789012345678901234567890123456789012345678901234567890        '+'\n')
         prm.write( 'INS   BANK      1                                                               '+'\n')
         prm.write(('INS   HTYPE   %sR                                                              '+'\n')%(Inst['Type'][0]))
         if 'Lam1' in Inst:              #Ka1 & Ka2
-            prm.write(('INS  1 ICONS%10.7f%10.7f    0.0000               0.990    0     0.500   '+'\n')%(Inst['Lam1'],Inst['Lam2'][0]))
+            prm.write(('INS  1 ICONS%10.7f%10.7f    0.0000               0.990    0     0.500   '+'\n')%(Inst['Lam1'][0],Inst['Lam2'][0]))
         elif 'Lam' in Inst:             #single wavelength
-            prm.write(('INS  1 ICONS%10.7f%10.7f    0.0000               0.990    0     0.500   '+'\n')%(Inst['Lam'][0],0.0))
+            prm.write(('INS  1 ICONS%10.7f%10.7f    0.0000               0.990    0     0.500   '+'\n')%(Inst['Lam'][1],0.0))
         prm.write( 'INS  1 IRAD     0                                                               '+'\n')
         prm.write( 'INS  1I HEAD                                                                    '+'\n')
@@ -567 +569 @@
         prm.write(('INS  1DETAZM%10.3f                                                          '+'\n')%(Inst['Azimuth'][0]))
         prm.write( 'INS  1PRCF1     3    8   0.00100                                                '+'\n')
-        prm.write(('INS  1PRCF11     %15.6g%15.6g%15.6g%15.6g   '+'\n')%(Inst['U'][0],Inst['V'][0],Inst['W'][0],0.0))
-        prm.write(('INS  1PRCF12     %15.6g%15.6g%15.6g%15.6g   '+'\n')%(Inst['X'][0],Inst['Y'][0],Inst['SH/L'][0]/2.,Inst['SH/L'][0]/2.))
+        prm.write(('INS  1PRCF11     %15.6g%15.6g%15.6g%15.6g   '+'\n')%(Inst['U'][1],Inst['V'][1],Inst['W'][1],0.0))
+        prm.write(('INS  1PRCF12     %15.6g%15.6g%15.6g%15.6g   '+'\n')%(Inst['X'][1],Inst['Y'][1],Inst['SH/L'][1]/2.,Inst['SH/L'][1]/2.))
         prm.close()
         file = open(filename,'w')