Changeset 4992
 Timestamp:
 Jul 8, 2021 8:41:49 AM (19 months ago)
 Location:
 trunk
 Files:

 3 edited
Legend:
 Unmodified
 Added
 Removed

trunk/GSASIIphsGUI.py
r4988 r4992 4000 4000 dlg.Destroy() 4001 4001 elif parm in ['frac','Uiso']: 4002 limits = [ 0.,1.]4002 limits = [1.,1.] 4003 4003 val = 1.0 4004 4004 if parm in ['Uiso']: 4005 limits = [ 0.,0.25]4005 limits = [0.25,0.25] 4006 4006 val = 0.01 4007 4007 dlg = G2G.SingleFloatDialog(G2frame,'New value','Enter new value for '+parm,val,limits) … … 6844 6844 G2frame.GetStatusBar().SetStatusText('',1) 6845 6845 layerData = G2frame.layerData 6846 if layerData.GetSizer():6847 layerData.GetSizer().Clear(True)6846 # if layerData.GetSizer(): 6847 # layerData.GetSizer().Clear(True) 6848 6848 mainSizer = wx.BoxSizer(wx.VERTICAL) 6849 6849 topSizer = wx.BoxSizer(wx.VERTICAL) … … 8761 8761 8762 8762 slideSizer.Add(wx.StaticText(drawOptions,1,' Bond radius, A: '),0,WACV) 8763 bondRadiusTxt = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'b allScale',nDig=(10,2),xmin=0.01,xmax=0.99,size=valSize,OnLeave=OnBondRadiusTxt)8763 bondRadiusTxt = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'bondRadius',nDig=(10,2),xmin=0.01,xmax=0.99,size=valSize,OnLeave=OnBondRadiusTxt) 8764 8764 slideSizer.Add(bondRadiusTxt,0,WACV) 8765 8765 bondRadius = wx.Slider(drawOptions,style=wx.SL_HORIZONTAL,value=int(100*drawingData['bondRadius'])) 
trunk/GSASIIplot.py
r4986 r4992 9580 9580 def Draw(caller='',Fade=[],NPkey=False): 9581 9581 vdWRadii = generalData['vdWRadii'] 9582 BondRadii = generalData['BondRadii'] 9582 9583 mapData = generalData['Map'] 9583 9584 D4mapData = generalData.get('4DmapData',{}) 
trunk/GSASIIstrMath.py
r4990 r4992 1613 1613 MF = refDict['FF']['MF'][iBeg:iFin].T[Tindx].T #Nref,Natm 1614 1614 TMcorr = 0.539*(np.reshape(Tiso,Tuij.shape)*Tuij)[:,0,:]*Mdata*Fdata*MF/(2*Nops) #Nref,Natm 1615 HM = np.inner( uAmat,HP.T) #put into cartesian space XH,ZH*L; uAmat better than uBmat1615 HM = np.inner(Bmat,HP.T) #put into cartesian space XH,ZH*L; 1616 1616 eM = (HM/np.sqrt(np.sum(HM**2,axis=0))).T # normalize HP Nref,hkl=Unit vectors  Q 1617 1617 … … 1634 1634 fbsm = np.sum(np.sum(fbms,axis=2),axis=2) 1635 1635 #put into cartesian space 1636 facm = np.inner(fasm,u Bmat.T)1637 fbcm = np.inner(fbsm,u Bmat.T)1636 facm = np.inner(fasm,uAmat) 1637 fbcm = np.inner(fbsm,uAmat) 1638 1638 #form e.F dot product 1639 1639 eDotFa = np.sum(eM[:,nxs,:]*facm,axis=1) #Nref,Ntau
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