Changeset 1676

Timestamp:

Feb 27, 2015 9:46:37 PM (9 years ago)

Author:

toby

Message:

Ignore equivalences that are not in use; start on svn switch implementation for help

Location:

trunk

Files:

• GSASIImapvars.py (modified) (3 diffs)
• GSASIIpath.py (modified) (3 diffs)
• GSASIIstrMath.py (modified) (1 diff)

trunk/GSASIImapvars.py

@@ -570 +570 @@
                     if notvaried: notvaried += ', '
                     notvaried += mv
-                if mv not in indepVarList: indepVarList.append(mv)
                 if parmDict is not None and mv not in parmDict:
-                    msg += "\nCannot equivalence to variable "+str(mv)+". Not defined in this refinement"
-                    continue
+                    print "Dropping equivalence for variable "+str(mv)+". Not defined in this refinement"
+                    #msg += "\nCannot equivalence to variable "+str(mv)+". Not defined in this refinement"
+                    #continue
+                else: 
+                    if mv not in indepVarList: indepVarList.append(mv)
                 for v,m in zip(varlist,invmultarr):
                     if parmDict is not None and v not in parmDict:
@@ -873 +875 @@
     for varlist,mapvars,invmultarr in zip(dependentParmList,indParmList,invarrayList):
         #if invmultarr is None: continue # probably not needed
-        valuelist = [parmDict[var] for var in mapvars]
+        try: 
+            valuelist = [parmDict[var] for var in mapvars]
+        except KeyError:
+            continue
         # get the v-covar matrix for independent parameters 
         vcov = np.zeros((len(mapvars),len(mapvars)))
@@ -1066 +1071 @@
     for varlist,mapvars,invmultarr in zip(dependentParmList,indParmList,invarrayList):
         #if invmultarr is None: continue
-        valuelist = [parmDict[var] for var in mapvars]
+        try: 
+            valuelist = [parmDict[var] for var in mapvars]
+        except KeyError:
+            continue
         parmDict.update(zip(varlist,
                             np.dot(invmultarr,np.array(valuelist)))

trunk/GSASIIpath.py

@@ -309 +309 @@
     sys.exit()
 
-def svnSwitchDir(rpath,URL):
+def svnSwitchDir(rpath,URL,loadpath=None):
     '''This performs a switch command to move files between subversion trees.
 
@@ -316 +316 @@
     
     :param str rpath: path to locate files, relative to the GSAS-II
-      installation path (path2GSAS2)
+      installation path (defaults to path2GSAS2)
     :param str URL: the repository URL
     '''
@@ -322 +322 @@
     svn = whichsvn()
     if not svn: return
-    fpath = os.path.join(path2GSAS2,rpath)
+    if loadpath:
+        fpath = os.path.join(loadpath,rpath)
+    else:
+        fpath = os.path.join(path2GSAS2,rpath)
     cmd = [svn,'switch','--ignore-ancestry',URL,fpath,
            '--non-interactive',

trunk/GSASIIstrMath.py

@@ -2509 +2509 @@
     return Vec,Hess
 
-def errRefine(values,HistoPhases,parmDict,varylist,calcControls,pawleyLookup,dlg):        
-    'Needs a doc string'
+def errRefine(values,HistoPhases,parmDict,varylist,calcControls,pawleyLookup,dlg=None):        
+    '''Computes the point-by-point discrepancies between every data point in every histogram
+    and the observed value
+    
+    :returns: an np array of differences between observed and computed diffraction values.
+    '''
     Values2Dict(parmDict, varylist, values)
     G2mv.Dict2Map(parmDict,varylist)