Changeset 926

Timestamp:

May 20, 2013 10:39:07 AM (10 years ago)

Author:

vondreele

Message:

split GSASIIstruct.py into 3 pieces

Location:

trunk

Files:

• GSASII.py (modified) (6 diffs)
• GSASIIstrIO.py (added)
• GSASIIstrMain.py (added)
• GSASIIstrMath.py (added)
• GSASIIstruct.py (deleted)
• testDeriv.py (modified) (1 diff)

trunk/GSASII.py

@@ -70 +70 @@
 import GSASIIpwdGUI as G2pdG
 import GSASIIspc as G2spc
-import GSASIIstruct as G2str
+import GSASIIstrMain as G2stMn
+import GSASIIstrIO as G2stIO
 import GSASIImapvars as G2mv
 import GSASIIsolve as G2sol
@@ -2304 +2305 @@
         rigidbodyDict = self.PatternTree.GetItemPyData(   
             G2gd.GetPatternTreeItemId(self,self.root,'Rigid bodies'))
-        rbVary,rbDict = G2str.GetRigidBodyModels(rigidbodyDict,Print=False)
+        rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,Print=False)
         rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[]})
-        Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtable,BLtable = G2str.GetPhaseData(Phases,RestraintDict=None,rbIds=rbIds,Print=False)        
-        hapVary,hapDict,controlDict = G2str.GetHistogramPhaseData(Phases,Histograms,Print=False)
-        histVary,histDict,controlDict = G2str.GetHistogramData(Histograms,Print=False)
+        Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtable,BLtable = G2stIO.GetPhaseData(Phases,RestraintDict=None,rbIds=rbIds,Print=False)        
+        hapVary,hapDict,controlDict = G2stIO.GetHistogramPhaseData(Phases,Histograms,Print=False)
+        histVary,histDict,controlDict = G2stIO.GetHistogramData(Histograms,Print=False)
         varyList = rbVary+phaseVary+hapVary+histVary
         parmDict.update(rbDict)
@@ -2338 +2339 @@
         self.OnFileSave(event)
         # check that constraints are OK here
-        errmsg, warnmsg = G2str.CheckConstraints(self.GSASprojectfile)
+        errmsg, warnmsg = G2stIO.CheckConstraints(self.GSASprojectfile)
         if errmsg:
             print('Error in constraints:\n'+errmsg+
@@ -2364 +2365 @@
         Rw = 100.00
         try:
-            Rw = G2str.Refine(self.GSASprojectfile,dlg)
+            Rw = G2stMn.Refine(self.GSASprojectfile,dlg)
         finally:
             dlg.Destroy()
@@ -2410 +2411 @@
         self.OnFileSave(event)
         # check that constraints are OK here
-        errmsg, warnmsg = G2str.CheckConstraints(self.GSASprojectfile)
+        errmsg, warnmsg = G2stIO.CheckConstraints(self.GSASprojectfile)
         if errmsg:
             print('Error in constraints:\n'+errmsg+
@@ -2433 +2434 @@
         dlg.SetSize(Size)
         try:
-            G2str.SeqRefine(self.GSASprojectfile,dlg)
+            G2stMn.SeqRefine(self.GSASprojectfile,dlg)
         finally:
             dlg.Destroy()        

trunk/testDeriv.py

@@ -126 +126 @@
         Size[1] = max(Size[1],290) + 35
         self.testDerivPanel.SetScrollbars(10,10,Size[0]/10-4,Size[1]/10-1)
+        print Size
         self.testDerivPanel.SetSize(Size)