Changeset 1933 for trunk/GSASIIpwdGUI.py
- Timestamp:
- Jul 17, 2015 11:37:24 AM (7 years ago)
- File:
-
- 1 edited
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trunk/GSASIIpwdGUI.py
r1913 r1933 2299 2299 maxH = ssopt['maxH'] 2300 2300 G2frame.HKL = G2pwd.getHKLMpeak(dmin,Inst,SGData,SSGData,Vec,maxH,A) 2301 G2frame.HKL = np.array(G2frame.HKL) 2301 2302 data[0] = G2indx.IndexSSPeaks(data[0],G2frame.HKL)[1] 2302 2303 else: #select cell from table - no SS … … 2308 2309 for hkl in G2frame.HKL: 2309 2310 hkl.insert(4,G2lat.Dsp2pos(Inst,hkl[3])) 2311 G2frame.HKL = np.array(G2frame.HKL) 2310 2312 data[0] = G2indx.IndexPeaks(data[0],G2frame.HKL)[1] 2311 2313 break … … 2598 2600 M20 = X20 = 0. 2599 2601 G2frame.HKL = G2pwd.getHKLpeak(dmin,SGData,A,Inst) 2602 G2frame.HKL = np.array(G2frame.HKL) 2600 2603 if len(G2frame.HKL): 2601 2604 print ' new M20,X20: %.2f %d fraction found: %.3f'%(M20,X20,float(len(peaks[0]))/len(G2frame.HKL)) … … 2685 2688 peaks = [G2indx.IndexPeaks(peaks[0],G2frame.HKL)[1],peaks[1]] #put peak fit esds back in peaks 2686 2689 Lhkl,M20,X20,Aref,Zero = G2indx.refinePeaksT(peaks[0],difC,ibrav,A,controls[1],controls[0]) 2690 G2frame.HKL = np.array(G2frame.HKL) 2687 2691 controls[1] = Zero 2688 2692 controls[6:12] = G2lat.A2cell(Aref) … … 2708 2712 for hkl in G2frame.HKL: 2709 2713 hkl[ip] = G2lat.Dsp2pos(Inst,hkl[ip-1])+controls[1] 2714 G2frame.HKL = np.array(G2frame.HKL) 2710 2715 if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId): 2711 2716 G2plt.PlotPowderLines(G2frame) … … 2755 2760 for hkl in G2frame.HKL: 2756 2761 hkl.insert(4,G2lat.Dsp2pos(Inst,hkl[3])+controls[1]) 2762 G2frame.HKL = np.array(G2frame.HKL) 2757 2763 if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId): 2758 2764 G2plt.PlotPowderLines(G2frame) … … 2782 2788 for hkl in G2frame.HKL: 2783 2789 hkl.insert(4,G2lat.Dsp2pos(Inst,hkl[3])+controls[1]) 2790 G2frame.HKL = np.array(G2frame.HKL) 2784 2791 if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId): 2785 2792 G2plt.PlotPowderLines(G2frame) … … 3030 3037 for hkl in G2frame.HKL: 3031 3038 hkl.insert(4,G2lat.Dsp2pos(Inst,hkl[3])+controls[1]) 3039 G2frame.HKL = np.array(G2frame.HKL) 3032 3040 table.append(row) 3033 3041 UnitCellsTable = G2G.Table(table,rowLabels=rowLabels,colLabels=colLabels,types=Types) … … 3150 3158 elif 'T' in Inst['Type'][0]: 3151 3159 refs = np.vstack((refList.T[:18+Super],I100)).T 3152 for i in range(len(refs)): rowLabels.append(str(i)) 3160 G2frame.HKL = np.vstack((refList.T[:6+Super])).T #build for plots 3161 rowLabels = [str(i) for i in range(len(refs))] 3153 3162 Types = (4+Super)*[wg.GRID_VALUE_LONG,]+4*[wg.GRID_VALUE_FLOAT+':10,4',]+ \ 3154 3163 2*[wg.GRID_VALUE_FLOAT+':10,2',]+[wg.GRID_VALUE_FLOAT+':10,3',]+ \
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