Changeset 365
- Timestamp:
- Sep 7, 2011 3:46:10 PM (12 years ago)
- Location:
- trunk
- Files:
-
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIgrid.py
r362 r365 527 527 528 528 def OnConvergence(event): 529 Obj = event.GetObject()530 529 try: 531 value = max(1.e-9,min(1.0,float( Obj.GetValue())))530 value = max(1.e-9,min(1.0,float(Cnvrg.GetValue()))) 532 531 except ValueError: 533 532 value = 0.0001 534 533 data['min dM/M'] = value 535 Obj.SetValue('%.2g'%(value))534 Cnvrg.SetValue('%.2g'%(value)) 536 535 537 536 def OnDerivType(event): 538 Obj = event.GetObject() 539 data['deriv type'] = Obj.GetValue() 537 data['deriv type'] = derivSel.GetValue() 540 538 derivSel.SetValue(data['deriv type']) 541 539 542 540 def OnFactor(event): 543 Obj = event.GetObject()544 541 try: 545 value = min(max(float( Obj.GetValue()),0.001),100.)542 value = min(max(float(Factr.GetValue()),0.001),100.) 546 543 except ValueError: 547 544 value = 1.0 548 545 data['shift factor'] = value 549 Obj.SetValue('%.3f'%(value))546 Factr.SetValue('%.3f'%(value)) 550 547 551 548 if self.dataDisplay: -
trunk/GSASIIphsGUI.py
r362 r365 2314 2314 if UseList[item]['Size'][0] == 'isotropic': 2315 2315 sizeRef = wx.CheckBox(dataDisplay,-1,label=' Cryst. size: ') 2316 sizeRef.thisown = False 2316 2317 sizeRef.SetValue(UseList[item]['Size'][2][0]) 2317 2318 Indx[sizeRef.GetId()] = [item,0] … … 2319 2320 sizeSizer.Add(sizeRef,0,wx.ALIGN_CENTER_VERTICAL) 2320 2321 sizeVal = wx.TextCtrl(dataDisplay,wx.ID_ANY, 2321 '%. 1f'%(UseList[item]['Size'][1][0]),style=wx.TE_PROCESS_ENTER)2322 '%.2f'%(UseList[item]['Size'][1][0]),style=wx.TE_PROCESS_ENTER) 2322 2323 Indx[sizeVal.GetId()] = [item,0] 2323 2324 sizeVal.Bind(wx.EVT_TEXT_ENTER,OnSizeVal) … … 2341 2342 for Pa,val,ref,id in parms: 2342 2343 sizeRef = wx.CheckBox(dataDisplay,-1,label=Pa) 2344 sizeRef.thisown = False 2343 2345 sizeRef.SetValue(ref) 2344 2346 Indx[sizeRef.GetId()] = [item,id] 2345 2347 sizeRef.Bind(wx.EVT_CHECKBOX, OnSizeRef) 2346 2348 sizeSizer2.Add(sizeRef,0,wx.ALIGN_CENTER_VERTICAL) 2347 sizeVal = wx.TextCtrl(dataDisplay,wx.ID_ANY,'%. 1f'%(val),style=wx.TE_PROCESS_ENTER)2349 sizeVal = wx.TextCtrl(dataDisplay,wx.ID_ANY,'%.2f'%(val),style=wx.TE_PROCESS_ENTER) 2348 2350 Indx[sizeVal.GetId()] = [item,id] 2349 2351 sizeVal.Bind(wx.EVT_TEXT_ENTER,OnSizeVal) … … 2362 2364 for Pa,val,ref,id in parms: 2363 2365 sizeRef = wx.CheckBox(dataDisplay,-1,label=Pa) 2366 sizeRef.thisown = False 2364 2367 sizeRef.SetValue(ref) 2365 2368 Indx[sizeRef.GetId()] = [item,id] 2366 2369 sizeRef.Bind(wx.EVT_CHECKBOX, OnSizeRef) 2367 2370 sizeSizer3.Add(sizeRef,0,wx.ALIGN_CENTER_VERTICAL) 2368 sizeVal = wx.TextCtrl(dataDisplay,wx.ID_ANY,'%. 1f'%(val),style=wx.TE_PROCESS_ENTER)2371 sizeVal = wx.TextCtrl(dataDisplay,wx.ID_ANY,'%.2f'%(val),style=wx.TE_PROCESS_ENTER) 2369 2372 Indx[sizeVal.GetId()] = [item,id] 2370 2373 sizeVal.Bind(wx.EVT_TEXT_ENTER,OnSizeVal) … … 2411 2414 for Pa,val,ref,id in parms: 2412 2415 strainRef = wx.CheckBox(dataDisplay,-1,label=Pa) 2416 strainRef.thisown = False 2413 2417 strainRef.SetValue(ref) 2414 2418 Indx[strainRef.GetId()] = [item,id] … … 2433 2437 UseList[item]['Mustrain'][5] = numb*[False,] 2434 2438 parms = zip(Snames,UseList[item]['Mustrain'][4],UseList[item]['Mustrain'][5],range(numb)) 2435 strainSizer = wx.FlexGridSizer( numb%3+1,6,5,5)2439 strainSizer = wx.FlexGridSizer(1,6,5,5) 2436 2440 for Pa,val,ref,id in parms: 2437 2441 strainRef = wx.CheckBox(dataDisplay,-1,label=Pa) 2442 strainRef.thisown = False 2438 2443 strainRef.SetValue(ref) 2439 2444 Indx[strainRef.GetId()] = [item,id] -
trunk/GSASIIstruct.py
r362 r365 1082 1082 gam = (1.8*wave/np.pi)/parmDict[phfx+'Size:0']*parmDict[phfx+'Size:1'] 1083 1083 gam *= np.sqrt((cosP*parmDict[phfx+'Size:1'])**2+(sinP*parmDict[phfx+'Size:0'])**2)/costh 1084 else: #ellipsoidal crystallites 1084 else: #ellipsoidal crystallites - wrong not make sense 1085 1085 H = np.array(refl[:3]) 1086 1086 gam += 1.8*wave/(np.pi*costh*np.inner(H,np.inner(sizeEllipse,H))) … … 1211 1211 Si = parmDict[phfx+'Size:0'] 1212 1212 Sa = parmDict[phfx+'Size:1'] 1213 gami = (1 80.*wave/np.pi)/(Si*Sa)1213 gami = (1.80*wave/np.pi)/(Si*Sa) 1214 1214 sqtrm = np.sqrt((cosP*Sa)**2+(sinP*Si)**2) 1215 1215 gam = gami*sqtrm/costh 1216 1216 gamDict[phfx+'Size:0'] = gami*Si*sinP**2/(sqtrm*costh)-gam/Si 1217 1217 gamDict[phfx+'Size:1'] = gam/Sa-gami*Sa*cosP**2/(sqtrm*costh) 1218 else: #ellipsoidal crystallites - do numerically? 1218 else: #ellipsoidal crystallites - do numerically? - not right not make sense 1219 1219 H = np.array(refl[:3]) 1220 1220 gam = 1.8*wave/(np.pi*costh*np.inner(H,np.inner(sizeEllipse,H))) … … 1537 1537 SetUsedHistogramsAndPhases(GPXfile,Histograms,Phases) 1538 1538 #for testing purposes!!! 1539 #import cPickle1540 #file = open('structTestdata.dat','wb')1541 #cPickle.dump(parmDict,file,1)1542 #cPickle.dump(varyList,file,1)1543 #for histogram in Histograms:1544 #if 'PWDR' in histogram[:4]:1545 #Histogram = Histograms[histogram]1546 #cPickle.dump(Histogram,file,1)1547 #cPickle.dump(Phases,file,1)1548 #cPickle.dump(calcControls,file,1)1549 #cPickle.dump(pawleyLookup,file,1)1550 #file.close()1539 import cPickle 1540 file = open('structTestdata.dat','wb') 1541 cPickle.dump(parmDict,file,1) 1542 cPickle.dump(varyList,file,1) 1543 for histogram in Histograms: 1544 if 'PWDR' in histogram[:4]: 1545 Histogram = Histograms[histogram] 1546 cPickle.dump(Histogram,file,1) 1547 cPickle.dump(Phases,file,1) 1548 cPickle.dump(calcControls,file,1) 1549 cPickle.dump(pawleyLookup,file,1) 1550 file.close() 1551 1551 1552 1552 def main():
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