Changeset 5013


Ignore:
Timestamp:
Aug 16, 2021 5:00:02 PM (4 months ago)
Author:
vondreele
Message:

remove invalid plot drag message - just console clutter
current best effort for incomm mag str fctrs

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r5012 r5013  
    17301730    Am = np.array(MSSdata[3:]).T[:,0,:]   #atoms x cos mag mods; only 1 wave used
    17311731    Bm = np.array(MSSdata[:3]).T[:,0,:]   #...sin mag mods
    1732     SGMT = np.array([ops[0] for ops in SGData['SGOps']])        #not .T!!
     1732    SGMT = np.array([ops[0] for ops in SGData['SGOps']])        #not .T!! (no diff for MnWO4 & best for DyMnGe)
    17331733    Sinv = np.array([nl.inv(ops[0]) for ops in SSGData['SSGOps']])
    17341734    SGT = np.array([ops[1] for ops in SSGData['SSGOps']])
     
    17481748    epsinv = Sinv[:,3,3]
    17491749    mst = np.inner(Sinv[:,:3,:3],modQ)-epsinv[:,nxs]*modQ   #van Smaalen Eq. 3.3
    1750 #    phi0 = np.inner(XYZ[:,0,:],modQ).T+np.inner(SGT[:,:3],modQ)[:,nxs]-SGT[:,3,nxs]
    1751     phi =  np.inner(XYZ,modQ).T-SGT[:,3,nxs]        +np.inner(SGT[:,:3],modQ)[:,nxs]
     1750    phi =  np.inner(XYZ,modQ).T+np.inner(SGT[:,:3],modQ)[:,nxs]+SGT[:,3,nxs]        # +,+ best for MnWO4 & DyMnGe
    17521751    TA = np.sum(mst[nxs,:,:]*(XYZ-SGT[:,:3][nxs,:,:]),axis=-1).T
    1753     phase =  TA[nxs,:,:] + epsinv[nxs,:,nxs]*(glTau[:,nxs,nxs])+phi[nxs,:,:]
     1752    phase =  TA[nxs,:,:] + epsinv[nxs,:,nxs]*glTau[:,nxs,nxs]+phi[nxs,:,:]    #+ best for MnWO4
    17541753    psin = np.sin(twopi*phase)      #tau,ops,atms
    17551754    pcos = np.cos(twopi*phase)
  • trunk/GSASIIplot.py

    r5008 r5013  
    26292629            G2frame.cid = None
    26302630        if event.xdata is None or event.ydata is None: # ignore drag if cursor is outside of plot
    2631             if GSASIIpath.GetConfigValue('debug'): print('Ignoring drag, invalid pos:',event.xdata,event.ydata)
    2632             wx.CallAfter(PlotPatterns,G2frame,plotType=plottype,extraKeys=extraKeys)
     2631#            if GSASIIpath.GetConfigValue('debug'): print('Ignoring drag, invalid pos:',event.xdata,event.ydata)
     2632#            wx.CallAfter(PlotPatterns,G2frame,plotType=plottype,extraKeys=extraKeys)
    26332633            return
    26342634        if not G2frame.PickId:
  • trunk/GSASIIstrMath.py

    r5011 r5013  
    16181618            MF = refDict['FF']['MF'][iBeg:iFin].T[Tindx].T   #Nref,Natm
    16191619            TMcorr = 0.539*(np.reshape(Tiso,Tuij.shape)*Tuij)[:,0,:]*Mdata*Fdata*MF/(2*Nops)     #Nref,Natm
    1620             HM = np.inner(Bmat.T,HP.T)                #put into cartesian space X||H,Z||H*L;
     1620            HM = np.inner(Bmat,HP.T)                #put into cartesian space X||H,Z||H*L; Bmat.T correct Cart coordinates
    16211621            eM = (HM*refl.T[5]).T                   # normalize HP by d*    Nref,hkl=Unit vectors || Q
    16221622
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