Changeset 507 for MPbranch/GSASIIstruct.py

Timestamp:

Mar 1, 2012 3:21:29 PM (11 years ago)

Author:

toby

Message:

fix function calc to allow for out of sequence finish of 'threads'; other minor fixes

File:

• MPbranch/GSASIIstruct.py (modified) (6 diffs)

MPbranch/GSASIIstruct.py

@@ -40 +40 @@
         Controls = dictionary of control items
     '''
-    Controls = {'deriv type':'analytic Hessian','max cyc':3,'max Hprocess':1,
-        'max Rprocess':1,'min dM/M':0.0001,'shift factor':1.}
+    Controls = {'deriv type':'analytic Hessian','max cyc':3,
+                'max Hprocess':2,
+                'max Rprocess':1,
+                'min dM/M':0.0001,'shift factor':1.}
     file = open(GPXfile,'rb')
     while True:
@@ -2688 +2690 @@
 
 def ComputePowderProfile(args):
-    Histogram,parmdict,varylist,Phases,calcControls,pawleyLookup = args
+    Histogram,parmdict,varylist,Phases,calcControls,pawleyLookup,histkey = args
     hId = Histogram['hId']
     hfx = ':%d:'%(hId)
@@ -2698 +2700 @@
                             varylist,Histogram,Phases,calcControls,
                             pawleyLookup)
-    return xB,xF,yc,yb,Histogram['Reflection Lists']
+    return xB,xF,yc,yb,Histogram['Reflection Lists'],histkey
 
 #def errRefine(values,HistoPhases,parmdict,varylist,calcControls,pawleyLookup,dlg):        
@@ -2762 +2764 @@
             Histogram = Histograms[histogram]
             argList.append(
-                [Histogram,parmdict,varylist,Phases,calcControls,pawleyLookup]
+                [Histogram,parmdict,varylist,Phases,calcControls,pawleyLookup,histogram]
                 )
     if MaxProcess > 1: 
         mpPool = mp.Pool(processes=MaxProcess)
-        #results = mpPool.map(ComputePowderProfile,argList)
-        #for arg,res in zip(argList,results):
-        #results = mpPool.map(ComputePowderProfile,argList)
-        #for i,res in enumerate(results):
-        for i,res in enumerate(
-            mpPool.imap_unordered(ComputePowderProfile,argList)
-            ):
-            print 'process',i
-            xB,xF,ycSect,ybSect,RL = res
-            Histogram = argList[i][0]
+        for (xB,xF,ycSect,ybSect,RL,histkey
+             ) in mpPool.imap_unordered(ComputePowderProfile,argList):
+            Histogram = Histograms[histkey]
             Histogram['Reflection Lists'] = RL
             x,y,w,yc,yb,yd = Histogram['Data']
@@ -2796 +2791 @@
     else:
         for arg in argList:
-            xB,xF,ycSect,ybSect,RL = ComputePowderProfile(arg)
+            xB,xF,ycSect,ybSect,RL,histkey = ComputePowderProfile(arg)
             Histogram = arg[0]
             hId = Histogram['hId']
@@ -2970 +2965 @@
 #    file.close()
 
+    ShowControls(Controls)
+    print 'Last Refinement time = %8.3fs'%(runtime)
     if dlg:
         return Rwp