Changeset 4992


Ignore:
Timestamp:
Jul 8, 2021 8:41:49 AM (5 months ago)
Author:
vondreele
Message:

some incomm. mag. str changes
fix BondRadii? issue in structure drawing
expand limits on frac to be -1 to 1 (not 0 to 1) & Uiso to be -.25 to 25 (not 0 to .25)
remove a layerData.GetSizer?().Clear(True) - caused crash & now obsolete
fix ballScale bug in GUI

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r4988 r4992  
    40004000            dlg.Destroy()
    40014001        elif parm in ['frac','Uiso']:
    4002             limits = [0.,1.]
     4002            limits = [-1.,1.]
    40034003            val = 1.0
    40044004            if  parm in ['Uiso']:
    4005                 limits = [0.,0.25]
     4005                limits = [-0.25,0.25]
    40064006                val = 0.01
    40074007            dlg = G2G.SingleFloatDialog(G2frame,'New value','Enter new value for '+parm,val,limits)
     
    68446844        G2frame.GetStatusBar().SetStatusText('',1)
    68456845        layerData = G2frame.layerData
    6846         if layerData.GetSizer():
    6847             layerData.GetSizer().Clear(True)
     6846        # if layerData.GetSizer():
     6847        #     layerData.GetSizer().Clear(True)
    68486848        mainSizer = wx.BoxSizer(wx.VERTICAL)
    68496849        topSizer = wx.BoxSizer(wx.VERTICAL)   
     
    87618761           
    87628762            slideSizer.Add(wx.StaticText(drawOptions,-1,' Bond radius, A: '),0,WACV)
    8763             bondRadiusTxt = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'ballScale',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)
    87648764            slideSizer.Add(bondRadiusTxt,0,WACV)
    87658765            bondRadius = wx.Slider(drawOptions,style=wx.SL_HORIZONTAL,value=int(100*drawingData['bondRadius']))
  • trunk/GSASIIplot.py

    r4986 r4992  
    95809580    def Draw(caller='',Fade=[],NPkey=False):
    95819581        vdWRadii = generalData['vdWRadii']
     9582        BondRadii = generalData['BondRadii']
    95829583        mapData = generalData['Map']
    95839584        D4mapData = generalData.get('4DmapData',{})
  • trunk/GSASIIstrMath.py

    r4990 r4992  
    16131613            MF = refDict['FF']['MF'][iBeg:iFin].T[Tindx].T   #Nref,Natm
    16141614            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 X||H,Z||H*L; uAmat better than uBmat
     1615            HM = np.inner(Bmat,HP.T)                    #put into cartesian space X||H,Z||H*L;
    16161616            eM = (HM/np.sqrt(np.sum(HM**2,axis=0))).T    # normalize  HP  Nref,hkl=Unit vectors || Q
    16171617
     
    16341634            fbsm = np.sum(np.sum(fbms,axis=-2),axis=-2)
    16351635#put into cartesian space
    1636             facm = np.inner(fasm,uBmat.T)
    1637             fbcm = np.inner(fbsm,uBmat.T)
     1636            facm = np.inner(fasm,uAmat)
     1637            fbcm = np.inner(fbsm,uAmat)
    16381638#form e.F dot product
    16391639            eDotFa = np.sum(eM[:,nxs,:]*facm,axis=-1)    #Nref,Ntau       
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