Changeset 694

Timestamp:

Jul 24, 2012 2:14:17 PM (11 years ago)

Author:

vondreele

Message:

remove error check on use of variable in constraint & equivalence - this is now allowed; code commented out in 3 places in mapvars

Location:

trunk

Files:

• GSASIImapvars.py (modified) (3 diffs)
• GSASIIpwdGUI.py (modified) (2 diffs)
• GSASIIstruct.py (modified) (4 diffs)

trunk/GSASIImapvars.py

@@ -314 +314 @@
                     errmsg += '\nParameter '+var+" is Fixed and used in a constraint:\n\t"
                     errmsg += FormatConstraint(constrDict[rel],fixedList[rel])+"\n"
-                if var in equivVarList:
-                    errmsg += '\nParameter '+var+" is Equivalenced and used in a constraint:\n\t"
-                    errmsg += FormatConstraint(constrDict[rel],fixedList[rel])+"\n"
+#                if var in equivVarList:
+#                    errmsg += '\nParameter '+var+" is Equivalenced and used in a constraint:\n\t"
+#                    errmsg += FormatConstraint(constrDict[rel],fixedList[rel])+"\n"
             if varied > 0 and varied != len(constrDict[rel]):
                 warnmsg += "\nNot all variables refined in constraint:\n\t"
@@ -498 +498 @@
     equivVarList = list(set(indepVarList).union(set(depVarList)))
     #print 'equivVarList',equivVarList
-    inboth = set(fixedVarList).intersection(set(equivVarList))
-    if len(inboth) > 0:
-        msg += "\nError! The following variables are used in both Equivalence and Fixed constraints:\n"
-        s = ''
-        for var in sorted(inboth):
-            if s != "": s+= ", "
-            s += str(var)
-        msg += '\t'+ s + '\n'
-
+#    inboth = set(fixedVarList).intersection(set(equivVarList))
+#    if len(inboth) > 0:
+#        msg += "\nError! The following variables are used in both Equivalence and Fixed constraints:\n"
+#        s = ''
+#        for var in sorted(inboth):
+#            if s != "": s+= ", "
+#            s += str(var)
+#        msg += '\t'+ s + '\n'
+#
     # scan through parameters in each relationship. Are all varied? If only some are
     # varied, create an error message. 
@@ -526 +526 @@
                     msg += '\nError: parameter '+var+" is Fixed and used in a constraint:\n\t"
                     msg += FormatConstraint(constrDict[rel],fixedList[rel])+"\n"
-                if var in equivVarList:
-                    msg += '\nError: parameter '+var+" is Equivalenced and used in a constraint:\n\t"
-                    msg += FormatConstraint(constrDict[rel],fixedList[rel])+"\n"
+#                if var in equivVarList:
+#                    msg += '\nError: parameter '+var+" is Equivalenced and used in a constraint:\n\t"
+#                    msg += FormatConstraint(constrDict[rel],fixedList[rel])+"\n"
             if varied > 0 and varied != len(constrDict[rel]):
                 msg += "\nNot all variables refined in constraint:\n\t"

trunk/GSASIIpwdGUI.py

@@ -1095 +1095 @@
     parms = [['Gonio. radius',' Goniometer radius(mm): ','%.2f',]]
     if data['Type'] == 'Debye-Scherrer':
-        parms += [['DisplaceX',u' Sample X displacement(\xb5m): ','%.2f',],
-            ['DisplaceY',u' Sample Y displacement(\xb5m): ','%.2f',],
+        parms += [['DisplaceX',u' Sample X displ. perp. to beam (\xb5m): ','%.2f',],
+            ['DisplaceY',u' Sample Y displ. || to beam (\xb5m): ','%.2f',],
             ['Absorption',u' Sample absorption(\xb5r): ','%.4f',],]
     elif data['Type'] == 'Bragg-Brentano':
@@ -1411 +1411 @@
             if ObjId < 3:
                 Obj.SetValue("%.5f"%(controls[6+ObjId]))
-
             else:
                 Obj.SetValue("%.3f"%(controls[6+ObjId]))

trunk/GSASIIstruct.py

@@ -345 +345 @@
                         
     GPXback = GPXBackup(GPXfile,makeBack)
-    print '\n',135*'-'
     print 'Read from file:',GPXback
     print 'Save to file  :',GPXfile
@@ -382 +381 @@
 def SetSeqResult(GPXfile,Histograms,SeqResult):
     GPXback = GPXBackup(GPXfile)
-    print '\n',135*'-'
     print 'Read from file:',GPXback
     print 'Save to file  :',GPXfile
@@ -1407 +1405 @@
                 if Print:
                     if 'Scale' in PhFrExtPOSig:
-                        print >>pFile,' Phase fraction  : %10.4f, sig %10.4f'%(hapData['Scale'][0],PhFrExtPOSig['Scale'])
+                        print >>pFile,' Phase fraction  : %10.5f, sig %10.5f'%(hapData['Scale'][0],PhFrExtPOSig['Scale'])
                     if 'Extinction' in PhFrExtPOSig:
                         print >>pFile,' Extinction coeff: %10.4f, sig %10.4f'%(hapData['Extinction'][0],PhFrExtPOSig['Extinction'])
@@ -3309 +3307 @@
     SetHistogramPhaseData(parmDict,sigDict,Phases,Histograms,pFile=printFile)
     SetHistogramData(parmDict,sigDict,Histograms,pFile=printFile)
-    G2mv.PrintIndependentVars(parmDict,varyList,sigDict,printFile)
+    G2mv.PrintIndependentVars(parmDict,varyList,sigDict,pFile=printFile)
     SetUsedHistogramsAndPhases(GPXfile,Histograms,Phases,covData)
     printFile.close()