Changeset 3095 for trunk/GSASIIstrMath.py

Timestamp:

Sep 21, 2017 2:42:50 PM (5 years ago)

Author:

vondreele

Message:

add new confit parm: Show_timing
enable editing of the Use column in seq results table; doesn't seem to affect plot tho.
always print Found SVD zeros in seq refinement as well
add local directory to path for finding fit equation functions
add a pretranslate vector to atom transformations - still needs work tho.
couple of TODOs in G2strMain for fix parameters in seq refinements
change 'debug' to 'Show_timing' in G2strMath

File:

• trunk/GSASIIstrMath.py (modified) (5 diffs)

trunk/GSASIIstrMath.py

@@ -2929 +2929 @@
     Multiprocessing support added
     '''
-    if GSASIIpath.GetConfigValue('debug'):
+    if GSASIIpath.GetConfigValue('Show_timing',False):
         starttime = time.time() #; print 'start GetFobsSq'
     histoList = Histograms.keys()
@@ -3060 +3060 @@
             Histogram = Histograms[histogram]
             Histogram['Residuals']['hId'] = Histograms[histogram]['hId']
-    if GSASIIpath.GetConfigValue('debug'):
+    if GSASIIpath.GetConfigValue('Show_timing',False):
         print 'GetFobsSq t=',time.time()-starttime
                 
 def getPowderProfile(parmDict,x,varylist,Histogram,Phases,calcControls,pawleyLookup):
     'Computes the powder pattern for a histogram based on contributions from all used phases'
-    if GSASIIpath.GetConfigValue('debug'): starttime = time.time()
+    if GSASIIpath.GetConfigValue('Show_timing',False): starttime = time.time()
     
     def GetReflSigGamCW(refl,im,wave,G,GB,phfx,calcControls,parmDict):
@@ -3248 +3248 @@
     if badPeak:
         print 'ouch #4 bad profile coefficients yield negative peak width; some reflections skipped' 
-    if GSASIIpath.GetConfigValue('debug'):
+    if GSASIIpath.GetConfigValue('Show_timing',False):
         print 'getPowderProfile t=',time.time()-starttime
     return yc,yb
@@ -4132 +4132 @@
             xF = np.searchsorted(x,Limits[1])+1
             useMP,ncores = G2mp.InitMP()
-            if GSASIIpath.GetConfigValue('debug'): starttime = time.time()
+            if GSASIIpath.GetConfigValue('Show_timing',False): starttime = time.time()
             if useMP:
                 MPpool = mp.Pool(ncores)
@@ -4153 +4153 @@
                 #    varylist,Histogram,Phases,rigidbodyDict,calcControls,pawleyLookup,dependentVars)
             G2mv.Dict2Deriv(varylist,depDerivDict,dMdvh)
-            if GSASIIpath.GetConfigValue('debug'): print 'getPowderProfileDerv t=',time.time()-starttime
+            if GSASIIpath.GetConfigValue('Show_timing',False): print 'getPowderProfileDerv t=',time.time()-starttime
             Wt = ma.sqrt(W[xB:xF])[nxs,:]
             Dy = dy[xB:xF][nxs,:]