Changeset 2124
- Timestamp:
- Jan 14, 2016 4:04:14 PM (7 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIindex.py
r2120 r2124 268 268 Vec.append(max(-1.,min(1.0,values[i]))) 269 269 else: 270 Vec.append(max(0.0,min( 2.0,values)))270 Vec.append(max(0.0,min(1.0,values))) 271 271 i += 1 272 272 else: … … 306 306 Vref = [True if x in ssopt['ssSymb'] else False for x in ['a','b','g']] 307 307 values = [] 308 ranges = [] 308 ranges = [] 309 dT = 0.02 #seems to be a good choice 309 310 for v,r in zip(ssopt['ModVec'],Vref): 310 311 if r: 311 ranges += [slice( 0.02,0.98,.02),]312 ranges += [slice(dT,1.-dT,dT),] #NB: unique part for (00g) & (a0g); (abg)? 312 313 values += [v,] 313 314 dmin = getDmin(peaks)-0.005 314 Peaks = np.copy(np.array(peaks).T)315 315 if 'T' in Inst['Type'][0]: 316 316 result = so.brute(TSSfunc,ranges,finish=so.fmin_cg,full_output=True, … … 330 330 hklmax = [0,0,0] 331 331 for ipk,peak in enumerate(peaks): 332 peak[4:7] = [0,0,0] #clear old indexing 333 peak[8] = 0. 332 334 if peak[2]: 333 peak[4:7] = [0,0,0] #clear old indexing334 peak[8] = 0.335 335 i = bisect.bisect_right(hklds,peak[7]) # find peak position in hkl list 336 336 dm = peak[-2]-hklds[i-1] # peak to neighbor hkls in list … … 379 379 hklmax = [0,0,0,0] 380 380 for ipk,peak in enumerate(Peaks): 381 peak[4:8] = [0,0,0,0] #clear old indexing 382 peak[9] = 0. 381 383 if peak[2]: #Use 382 peak[4:8] = [0,0,0,0] #clear old indexing383 peak[9] = 0.384 384 i = bisect.bisect_right(hklds,peak[8]) # find peak position in hkl list 385 385 dm = peak[8]-hklds[i-1] # peak to neighbor hkls in list … … 974 974 if not GoOn: 975 975 break 976 if M20 > 1.0:976 if 1.e6 > M20 > 1.0: #exclude nonsense 977 977 bestM20 = max(bestM20,M20) 978 978 A = halfCell(ibrav,A[:],peaks) -
trunk/GSASIIpwdGUI.py
r2120 r2124 2291 2291 elif key == 78: #'N' 2292 2292 for row in range(G2frame.IndexPeaksTable.GetNumberRows()): data[0][row][col]=False 2293 elif key == 83: # 'S' 2294 for row in range(G2frame.IndexPeaksTable.GetNumberRows()): data[0][row][col] = not data[0][row][col] 2295 2293 2296 2294 2297 if G2frame.dataDisplay: … … 2752 2755 wx.CallAfter(UpdateUnitCellsGrid,G2frame,data) 2753 2756 2754 def IndexPeaks(event):2757 def OnIndexPeaks(event): 2755 2758 PatternId = G2frame.PatternId 2756 2759 print 'Peak Indexing' … … 2869 2872 if not G2frame.dataFrame.GetStatusBar(): 2870 2873 Status = G2frame.dataFrame.CreateStatusBar() 2871 G2frame.Bind(wx.EVT_MENU, IndexPeaks, id=G2gd.wxID_INDEXPEAKS)2874 G2frame.Bind(wx.EVT_MENU, OnIndexPeaks, id=G2gd.wxID_INDEXPEAKS) 2872 2875 G2frame.Bind(wx.EVT_MENU, CopyUnitCell, id=G2gd.wxID_COPYCELL) 2873 2876 G2frame.Bind(wx.EVT_MENU, RefineCell, id=G2gd.wxID_REFINECELL)
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