# Changeset 1169

Ignore:
Timestamp:
Dec 17, 2013 9:38:23 AM (9 years ago)
Message:

fix space group ops. cif output

Location:
trunk
Files:
2 edited

Unmodified
Added
Removed
• ## trunk/GSASIIimage.py

 r1167 def GetTthAzmDsp(x,y,data): 'Needs a doc string - checked OK for ellipses dont know about hyperbola' 'Needs a doc string - checked OK for ellipses & hyperbola' wave = data['wavelength'] cent = data['center'] DX = dist-Z+dxy DY = np.sqrt(dx**2+dy**2-Z**2) D = (DX**2+DY**2)/dist**2       #for geometric correction = 1/cos(2theta)^2 if tilt=0. D = (DX**2+DY**2)/data['distance']**2       #for geometric correction = 1/cos(2theta)^2 if tilt=0. tth = npatan2d(DY,DX) #depth corr not correct for tilted detector dsp = wave/(2.*npsind(tth/2.))
• ## trunk/GSASIIspc.py

 r973 def MT2text(M,T): "From space group matrix/translation operator returns text version" XYZ = ('-Z ','-Y ','-X ','X-Y','ERR','Y-X',' X ',' Y ',' Z ','+X ','+Y ','+Z ') XYZ = ('-Z','-Y','-X','X-Y','ERR','Y-X','X','Y','Z') TRA = ('   ','ERR','1/6','1/4','1/3','ERR','1/2','ERR','2/3','3/4','5/6','ERR') Fld = '' IJ = int(round(2*M[j][0]+3*M[j][1]+4*M[j][2]+4))%12 IK = int(round(T[j]*12))%12 if IK > 0 and IJ > 4: IJ += 3 Fld += TRA[IK]+XYZ[IJ] if j != 2: Fld += ',' if IK: if IJ < 3: Fld += TRA[IK]+XYZ[IJ] else: Fld += TRA[IK]+'+'+XYZ[IJ] else: Fld += XYZ[IJ] if j != 2: Fld += ', ' return Fld
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