Changeset 2173
 Timestamp:
 Mar 15, 2016 4:43:40 PM (6 years ago)
 File:

 1 edited
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trunk/GSASIIplot.py
r2172 r2173 5812 5812 if il: 5813 5813 TX += np.array(Trans[laySeq[il1]][layer][1:4]) 5814 XYZ += TX5815 XYZT = XYZ.T5816 XYZT[0] = XYZT[0]%1.5817 XYZT[1] = XYZT[1]%1.5818 XYZ = XYZT.T5814 XYZ += TX 5815 XYZT = XYZ.T 5816 XYZT[0] = XYZT[0]%1. 5817 XYZT[1] = XYZT[1]%1. 5818 XYZ = XYZT.T 5819 5819 AtNames += atNames 5820 5820 AtTypes += atTypes … … 5823 5823 na = int(8./cell[0]) 5824 5824 nb = int(8./cell[1]) 5825 nunit = [na,nb,0] 5826 indA = range(na,na) 5827 indB = range(nb,nb) 5828 Units = np.array([[h,k,0] for h in indA for k in indB]) 5829 newXYZ = np.zeros((0,3)) 5830 for unit in Units: 5831 newXYZ = np.concatenate((newXYZ,unit+XYZ)) 5832 if len(Units): 5833 AtNames *= len(Units) 5834 AtTypes *= len(Units) 5835 XYZ = newXYZ 5825 if any([na,nb]): 5826 nunit = [na,nb,0] 5827 indA = range(na,na) 5828 indB = range(nb,nb) 5829 Units = np.array([[h,k,0] for h in indA for k in indB]) 5830 newXYZ = np.zeros((0,3)) 5831 for unit in Units: 5832 newXYZ = np.concatenate((newXYZ,unit+XYZ)) 5833 if len(Units): 5834 AtNames *= len(Units) 5835 AtTypes *= len(Units) 5836 XYZ = newXYZ 5837 5836 5838 Bonds = FindBonds(AtTypes,XYZ) 5837 5839
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