Changeset 2659
- Timestamp:
- Jan 24, 2017 1:58:38 PM (6 years ago)
- Location:
- trunk
- Files:
-
- 7 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASII.py
r2658 r2659 1202 1202 v = (v[0],v[2],v[4]) 1203 1203 codes = [0,0,0,0] 1204 rd.Sample['Type'] = 'Debye-Scherrer' 1204 1205 else: 1205 1206 names = ['Type','Lam1','Lam2','Zero','I(L2)/I(L1)','Polariz.','U','V','W','X','Y','SH/L','Azimuth'] 1206 1207 codes = [0,0,0,0,0,0] 1208 rd.Sample['Type'] = 'Bragg-Brentano' 1207 1209 data.extend(v) 1208 1210 if 'INS 1PRCF ' in Iparm: … … 1340 1342 if res is None: return None 1341 1343 rd.instfile = '' 1344 if 'lab data' in choices[res]: 1345 rd.Sample['Type'] = 'Bragg-Brentano' 1346 else: 1347 rd.Sample['Type'] = 'Debye-Scherrer' 1342 1348 if 'Generic' in choices[res]: 1343 1349 dlg = G2G.MultiFloatDialog(self,title='Generic TOF detector bank', … … 3600 3606 'Geometry':'Cylinder','Diam':1.0,'Pack':0.50,'Form Vol':10.0, 3601 3607 'DetType':'Image plate','ObliqCoeff':0.2,'Ruland':0.025,'QScaleLim':Qlimits[i], 3602 'Lorch':False,'BackRatio':0.0,'Rmax':100.,'noRing':False,'IofQmin':1.0} 3608 'Lorch':False,'BackRatio':0.0,'Rmax':100.,'noRing':False,'IofQmin':1.0, 3609 'I(Q)':[],'S(Q)':[],'F(Q)':[],'G(R)':[]} 3603 3610 self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='PDF Controls'),Data) 3604 self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='I(Q)'+PWDRname),[]) 3605 self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='S(Q)'+PWDRname),[]) 3606 self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='F(Q)'+PWDRname),[]) 3607 self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='G(R)'+PWDRname),[]) 3611 self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='PDF Peaks'), 3612 {'Limits':[1.,5.],'Background':[2,[0.,-0.2*np.pi],False],'Peaks':[]}) 3608 3613 for item in self.ExportPDF: item.Enable(True) 3609 3614 finally: -
trunk/GSASIIIO.py
r2625 r2659 784 784 for p in datum[1]['PythonVersions']: 785 785 print(" {:<12s} {:s}".format(p[0]+':',p[1])) 786 oldPDF = False 786 787 for datus in data[1:]: 788 #patch - 1/23/17 PDF cleanup 789 if datus[0][:4] in ['I(Q)','S(Q)','F(Q)','G(R)']: 790 oldPDF = True 791 data[1][1][datus[0][:4]] = copy.deepcopy(datus[1][:2]) 792 continue 793 #end PDF cleanup 787 794 sub = G2frame.PatternTree.AppendItem(Id,datus[0]) 788 795 #patch … … 796 803 #end patch 797 804 G2frame.PatternTree.SetItemPyData(sub,datus[1]) 805 if 'PDF ' in datum[0][:4] and oldPDF: 806 sub = G2frame.PatternTree.AppendItem(Id,'PDF Peaks') 807 G2frame.PatternTree.SetItemPyData(sub,{'Limits':[1.,5.],'Background':[2,[0.,-0.2*np.pi],False],'Peaks':[]}) 798 808 if datum[0].startswith('IMG'): #retrieve image default flag & data if set 799 809 Data = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Image Controls')) … … 985 995 for export in exports: 986 996 PickId = G2gd.GetPatternTreeItemId(G2frame, G2frame.root, export) 987 SQname = 'S(Q)'+export[4:] 988 FQname = 'F(Q)'+export[4:] 989 GRname = 'G(R)'+export[4:] 997 PDFControls = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame, PickId,'PDF Controls')) 990 998 sqfilename = ospath.join(G2frame.dirname,export.replace(' ','_')[5:]+'.sq') 991 999 fqfilename = ospath.join(G2frame.dirname,export.replace(' ','_')[5:]+'.fq') 992 1000 grfilename = ospath.join(G2frame.dirname,export.replace(' ','_')[5:]+'.gr') 993 sqId = G2gd.GetPatternTreeItemId(G2frame, PickId, SQname) 994 fqId = G2gd.GetPatternTreeItemId(G2frame, PickId, FQname) 995 grId = G2gd.GetPatternTreeItemId(G2frame, PickId, GRname) 996 sqdata = np.array(G2frame.PatternTree.GetItemPyData(sqId)[1][:2]) 1001 sqdata = PDFControls['S(Q)'][1] 997 1002 sqfxn = scintp.interp1d(sqdata[0],sqdata[1],kind='linear') 998 fqdata = np.array(G2frame.PatternTree.GetItemPyData(fqId)[1][:2])1003 fqdata = PDFControls['F(Q)'][1] 999 1004 fqfxn = scintp.interp1d(fqdata[0],fqdata[1],kind='linear') 1000 grdata = np.array(G2frame.PatternTree.GetItemPyData(grId)[1][:2])1005 grdata = PDFControls['G(R)'][1] 1001 1006 grfxn = scintp.interp1d(grdata[0],grdata[1],kind='linear') 1002 1007 sqfile = open(sqfilename,'w') -
trunk/GSASIIgrid.py
r2657 r2659 149 149 ] = [wx.NewId() for item in range(5)] 150 150 151 [ wxID_PDFCOPYCONTROLS, wxID_PDFSAVECONTROLS, wxID_PDFLOADCONTROLS, 152 wxID_PDF COMPUTE, wxID_PDFCOMPUTEALL, wxID_PDFADDELEMENT, wxID_PDFDELELEMENT, #wxID_PDFOPT,153 ] = [wx.NewId() for item in range( 7)]151 [ wxID_PDFCOPYCONTROLS, wxID_PDFSAVECONTROLS, wxID_PDFLOADCONTROLS, wxID_PDFCOMPUTE, wxID_PDFCOMPUTEALL, 152 wxID_PDFADDELEMENT, wxID_PDFDELELEMENT, wxID_PDFPKSFIT,wxID_PDFPKSFITALL,wxID_PDFCOPYPEAKS, 153 ] = [wx.NewId() for item in range(10)] 154 154 155 155 [ wxID_MCRON,wxID_MCRLIST,wxID_MCRSAVE,wxID_MCRPLAY, … … 2180 2180 # text='Optimize corrections for r<Rmin section of current G(r)') 2181 2181 self.PostfillDataMenu() 2182 2183 # PDF / PDF Peaks 2184 self.PDFPksMenu = wx.MenuBar() 2185 self.PrefillDataMenu(self.PDFPksMenu) 2186 self.PDFPksEdit = wx.Menu(title='') 2187 self.PDFPksMenu.Append(menu=self.PDFPksEdit, title='PDF Peaks') 2188 self.PDFPksEdit.Append(help='Fit PDF peaks', id=wxID_PDFPKSFIT, kind=wx.ITEM_NORMAL, 2189 text='Fit Peaks') 2190 self.PDFPksEdit.Append(help='Fit all PDF peaks', id=wxID_PDFPKSFITALL, kind=wx.ITEM_NORMAL, 2191 text='Fit all PDF peakss') 2192 self.PDFPksEdit.Append(help='Copy PDF peaks', id=wxID_PDFCOPYPEAKS, kind=wx.ITEM_NORMAL, 2193 text='Copy peaks') 2194 2195 self.PostfillDataMenu() 2196 2182 2197 2183 2198 # Phase / General tab … … 4567 4582 data = G2frame.PatternTree.GetItemPyData(GetPatternTreeItemId(G2frame,item,'PDF Controls')) 4568 4583 G2pdG.UpdatePDFGrid(G2frame,data) 4569 G2plt.PlotISFG(G2frame, plotType='S(Q)')4584 G2plt.PlotISFG(G2frame,data,plotType='G(R)') 4570 4585 elif G2frame.PatternTree.GetItemText(item) == 'Phases': 4571 4586 G2frame.dataFrame.setSizePosLeft(defWid) 4572 4587 wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(), 4573 4588 value='Select one phase to see its parameters') 4574 elif 'I(Q)' in G2frame.PatternTree.GetItemText(item): 4575 for i in G2frame.ExportPDF: i.Enable(True) # this should be done on .gpx load; is done on OnMakePDFs (GSASII.py) 4589 elif G2frame.PatternTree.GetItemText(item) == 'PDF Peaks': 4576 4590 G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) 4591 peaks = G2frame.PatternTree.GetItemPyData(GetPatternTreeItemId(G2frame,G2frame.PatternId,'PDF Peaks')) 4577 4592 data = G2frame.PatternTree.GetItemPyData(GetPatternTreeItemId(G2frame,G2frame.PatternId,'PDF Controls')) 4578 G2pdG.UpdatePDFGrid(G2frame,data) 4579 G2plt.PlotISFG(G2frame,plotType='I(Q)',newPlot=True) 4580 elif 'S(Q)' in G2frame.PatternTree.GetItemText(item): 4581 for i in G2frame.ExportPDF: i.Enable(True) # this should be done on .gpx load; is done on OnMakePDFs (GSASII.py) 4582 G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) 4583 data = G2frame.PatternTree.GetItemPyData(GetPatternTreeItemId(G2frame,G2frame.PatternId,'PDF Controls')) 4584 G2pdG.UpdatePDFGrid(G2frame,data) 4585 G2plt.PlotISFG(G2frame,plotType='S(Q)',newPlot=True) 4586 elif 'F(Q)' in G2frame.PatternTree.GetItemText(item): 4587 for i in G2frame.ExportPDF: i.Enable(True) # this should be done on .gpx load; is done on OnMakePDFs (GSASII.py) 4588 G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) 4589 data = G2frame.PatternTree.GetItemPyData(GetPatternTreeItemId(G2frame,G2frame.PatternId,'PDF Controls')) 4590 G2pdG.UpdatePDFGrid(G2frame,data) 4591 G2plt.PlotISFG(G2frame,plotType='F(Q)',newPlot=True) 4592 elif 'G(R)' in G2frame.PatternTree.GetItemText(item): 4593 for i in G2frame.ExportPDF: i.Enable(True) # this should be done on .gpx load; is done on OnMakePDFs (GSASII.py) 4594 G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) 4595 data = G2frame.PatternTree.GetItemPyData(GetPatternTreeItemId(G2frame,G2frame.PatternId,'PDF Controls')) 4596 G2pdG.UpdatePDFGrid(G2frame,data) 4597 G2plt.PlotISFG(G2frame,plotType='G(R)',newPlot=True) 4593 G2pdG.UpdatePDFPeaks(G2frame,peaks,data) 4594 G2plt.PlotISFG(G2frame,data,plotType='G(R)',newPlot=True,peaks=peaks) 4598 4595 elif G2frame.PatternTree.GetItemText(item) == 'PDF Controls': 4599 4596 for i in G2frame.ExportPDF: i.Enable(True) # this should be done on .gpx load; is done on OnMakePDFs (GSASII.py) … … 4602 4599 data = G2frame.PatternTree.GetItemPyData(item) 4603 4600 G2pdG.UpdatePDFGrid(G2frame,data) 4604 G2plt.PlotISFG(G2frame, plotType='I(Q)')4605 G2plt.PlotISFG(G2frame, plotType='S(Q)')4606 G2plt.PlotISFG(G2frame, plotType='F(Q)')4607 G2plt.PlotISFG(G2frame, plotType='G(R)')4601 G2plt.PlotISFG(G2frame,data,plotType='I(Q)') 4602 G2plt.PlotISFG(G2frame,data,plotType='S(Q)') 4603 G2plt.PlotISFG(G2frame,data,plotType='F(Q)') 4604 G2plt.PlotISFG(G2frame,data,plotType='G(R)') 4608 4605 elif G2frame.PatternTree.GetItemText(parentID) == 'Phases': 4609 4606 data = G2frame.PatternTree.GetItemPyData(item) -
trunk/GSASIIplot.py
r2654 r2659 2349 2349 ################################################################################ 2350 2350 2351 def PlotISFG(G2frame, newPlot=False,plotType=''):2351 def PlotISFG(G2frame,data,newPlot=False,plotType='',peaks=None): 2352 2352 ''' Plotting package for PDF analysis; displays I(Q), S(Q), F(Q) and G(r) as single 2353 2353 or multiple plots with waterfall and contour plots as options … … 2389 2389 Page.Offset[0] += 1. 2390 2390 elif event.key == 'o': 2391 Page.Offset = [0,0] 2391 if G2frame.Contour: 2392 G2frame.Interpolate = 'nearest' 2393 G2frame.Cmin = 0.0 2394 G2frame.Cmax = 1.0 2395 else: 2396 Page.Offset = [0,0] 2392 2397 elif event.key == 'm': 2393 2398 G2frame.SinglePlot = not G2frame.SinglePlot … … 2397 2402 if G2frame.Contour: 2398 2403 G2frame.SinglePlot = False 2404 else: 2399 2405 Page.Offset = [0.,0.] 2406 G2frame.SinglePlot = not G2frame.SinglePlot 2400 2407 elif not G2frame.Contour and event.key == 'w': 2401 2408 G2frame.Waterfall = not G2frame.Waterfall … … 2436 2443 elif event.key == 't' and not G2frame.Contour: 2437 2444 G2frame.Legend = not G2frame.Legend 2438 PlotISFG(G2frame, newPlot=newPlot,plotType=plotType)2445 PlotISFG(G2frame,data,newPlot=newPlot,plotType=plotType) 2439 2446 2440 2447 def OnMotion(event): … … 2466 2473 2467 2474 G2frame.G2plotNB.status.DestroyChildren() 2468 if G2frame.Contour: 2469 Page.Choice = (' key press','d: lower contour max','u: raise contour max', 2470 'D: lower contour min','U: raise contour min', 2471 'i: interpolation method','s: color scheme','c: contour off','f: select data', 2472 ) 2475 if peaks == None: 2476 if G2frame.Contour: 2477 Page.Choice = (' key press','d: lower contour max','u: raise contour max', 2478 'D: lower contour min','U: raise contour min','o: reset to default', 2479 'i: interpolation method','s: color scheme','c: contour off','f: select data', 2480 ) 2481 else: 2482 Page.Choice = (' key press','l: offset left','r: offset right','d: offset down','u: offset up', 2483 'o: reset offset','t: toggle legend','c: contour on','w: toggle waterfall colors (slow!)', 2484 'm: toggle multiplot','s: color scheme','f: select data' ) 2485 Page.keyPress = OnPlotKeyPress 2473 2486 else: 2474 Page.Choice = (' key press','l: offset left','r: offset right','d: offset down','u: offset up', 2475 'o: reset offset','t: toggle legend','c: contour on','w: toggle waterfall colors (slow!)', 2476 'm: toggle multiplot','s: color scheme','f: select data' ) 2477 Page.keyPress = OnPlotKeyPress 2487 Page.Choice = () 2488 newPlot = True 2478 2489 PatternId = G2frame.PatternId 2479 2490 name = G2frame.PatternTree.GetItemText(PatternId)[4:] 2480 Pattern = []2481 2491 if G2frame.SinglePlot: 2482 name = G2frame.PatternTree.GetItemText(PatternId) 2483 name = plotType+name[4:] 2484 Id = G2gd.GetPatternTreeItemId(G2frame,PatternId,name) 2485 Pattern = G2frame.PatternTree.GetItemPyData(Id) 2486 if Pattern: 2487 Pattern.append(name) 2488 PlotList = [Pattern,] 2492 if 'G(R)' not in data: 2493 return 2494 PlotList = [data[plotType],] 2489 2495 else: 2490 2496 PlotList = [] … … 2495 2501 for item in choices: 2496 2502 Pid = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,item) 2497 name = plotType+item[4:] 2498 Id = G2gd.GetPatternTreeItemId(G2frame,Pid,name) 2503 Id = G2gd.GetPatternTreeItemId(G2frame,Pid,'PDF Controls') 2499 2504 Pattern = G2frame.PatternTree.GetItemPyData(Id) 2500 2505 if Pattern: 2501 Pattern.append(item) 2502 PlotList.append(Pattern) 2506 PlotList.append(Pattern[plotType]) 2503 2507 name = plotType 2504 2508 if plotType == 'G(R)': … … 2515 2519 lenX = 0 2516 2520 for Pattern in PlotList: 2517 try: 2518 xye = Pattern[1] 2519 except IndexError: 2520 return 2521 xye = Pattern[1] 2521 2522 Ymax = max(Ymax,max(xye[1])) 2523 XYlist = [] 2522 2524 if G2frame.Contour: 2523 2525 ContourZ = [] 2524 2526 ContourY = [] 2525 2527 Nseq = 0 2526 else:2527 XYlist = []2528 2528 for N,Pattern in enumerate(PlotList): 2529 2529 xye = Pattern[1] … … 2531 2531 if not lenX: 2532 2532 lenX = len(X) 2533 if G2frame.Contour and len(P attern)>1:2533 if G2frame.Contour and len(PlotList)>1: 2534 2534 Y = xye[1] 2535 2535 if lenX == len(X): … … 2547 2547 # else: 2548 2548 # Plot.plot(X,Y,colors[N%6],picker=False) 2549 if G2frame.Contour and len(P attern)>1:2549 if G2frame.Contour and len(PlotList)>1: 2550 2550 acolor = mpl.cm.get_cmap(G2frame.ContourColor) 2551 2551 Img = Plot.imshow(ContourZ,cmap=acolor,vmin=Ymax*G2frame.Cmin,vmax=Ymax*G2frame.Cmax,interpolation=G2frame.Interpolate, … … 2596 2596 line = mplC.LineCollection(XYlist,color=colors[0]) 2597 2597 Plot.add_collection(line) 2598 if peaks != None: 2599 Plot.axvline(peaks['Limits'][0],color='g',dashes=(5,5),picker=2.) 2600 Plot.axvline(peaks['Limits'][1],color='r',dashes=(5,5),picker=2.) 2598 2601 wx.EndBusyCursor() 2599 2602 if plotType == 'G(R)': -
trunk/GSASIIpwd.py
r2652 r2659 580 580 581 581 sig = lambda Th,U,V,W: np.sqrt(max(0.001,U*tand(Th)**2+V*tand(Th)+W)) 582 sigTOF = lambda dsp,S0,S1,S2,Sq: S0+S1*dsp**2+S2*dsp**4+Sq/dsp**2582 sigTOF = lambda dsp,S0,S1,S2,Sq: np.sqrt(S0+S1*dsp**2+S2*dsp**4+Sq/dsp**2) 583 583 gam = lambda Th,X,Y: (X/cosd(Th)+Y*tand(Th)) 584 584 gamTOF = lambda dsp,X,Y: X*dsp+Y*dsp**2 … … 1768 1768 binsperFWHM.append(0.) 1769 1769 if peakVary: PeaksPrint(dataType,parmDict,sigDict,varyList,binsperFWHM) 1770 if len(binsperFWHM) and min(binsperFWHM) < 3.: 1771 print '*** Warning: calculated peak widths are too narrow to refine profile coefficients ***' 1772 if 'T' in Inst['Type'][0]: 1773 print ' Manually increase sig-0, 1, or 2 in Instrument Parameters' 1774 else: 1775 print ' Manually increase W in Instrument Parameters' 1770 if len(binsperFWHM): 1771 if min(binsperFWHM) < 1.: 1772 print '*** Warning: calculated peak widths are too narrow to refine profile coefficients ***' 1773 if 'T' in Inst['Type'][0]: 1774 print ' Manually increase sig-0, 1, or 2 in Instrument Parameters' 1775 else: 1776 print ' Manually increase W in Instrument Parameters' 1777 elif min(binsperFWHM) < 4.: 1778 print '*** Warning: data binning yields too few data points across peak FWHM for reliable Rietveld refinement ***' 1779 print '*** recommended is 6-10; you have %.2f ***'%(min(binsperFWHM)) 1776 1780 return sigDict,result,sig,Rvals,varyList,parmDict,fullvaryList,badVary 1777 1781 -
trunk/GSASIIpwdGUI.py
r2657 r2659 782 782 ''' 783 783 event.Skip() 784 r,c = event.GetRow(),event.GetCol()784 c = event.GetRow(),event.GetCol()[1] 785 785 if c < 0: # replot except whan a column is selected 786 786 wx.CallAfter(G2plt.PlotPatterns,G2frame,plotType='PWDR') … … 4855 4855 dlg.Destroy() 4856 4856 wx.CallAfter(UpdatePDFGrid,G2frame,data) 4857 #UpdatePDFGrid(G2frame,data)4858 4857 4859 4858 def OnOptimizePDF(event): … … 4945 4944 data['Ruland'] = R/10. 4946 4945 G2pwd.CalcPDF(data,inst,limits,xydata) 4947 # g = xydata['GofR'][1][1]4948 # r = xydata['GofR'][1][0]4949 # g0 = g[r < Data['Rmin']] + 4*np.pi*r[r < Data['Rmin']]*numbDen4950 # G2plt.PlotXY(G2frame,[[r[r < Data['Rmin']], g0]],Title='G(r)+4pi*r',4951 # labelX=r'r, $\AA$',labelY=r'G(r)$+4\pi r$')4952 4946 EvalLowPDF(GetCurrentVals()) 4953 4947 BkgMax = max(xydata['IofQ'][1][1])/50. … … 4968 4962 inst = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,powId,'Instrument Parameters'))[0] 4969 4963 auxPlot = G2pwd.CalcPDF(Data,inst,limits,xydata) 4970 PDFId = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,'PDF '+powName[4:]) 4971 G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PDFId,'I(Q)'+powName[4:]),xydata['IofQ']) 4972 G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PDFId,'S(Q)'+powName[4:]),xydata['SofQ']) 4973 G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PDFId,'F(Q)'+powName[4:]),xydata['FofQ']) 4974 G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PDFId,'G(R)'+powName[4:]),xydata['GofR']) 4964 data['I(Q)'] = xydata['IofQ'] 4965 data['S(Q)'] = xydata['SofQ'] 4966 data['F(Q)'] = xydata['FofQ'] 4967 data['G(R)'] = xydata['GofR'] 4975 4968 return auxPlot 4976 4969 … … 4990 4983 G2plt.PlotXY(G2frame,[XY,],Title=plot[2]) 4991 4984 if event is not None: 4992 G2plt.PlotISFG(G2frame,newPlot=True,plotType='I(Q)') 4993 G2plt.PlotISFG(G2frame,newPlot=True,plotType='S(Q)') 4994 G2plt.PlotISFG(G2frame,newPlot=True,plotType='F(Q)') 4995 #G2plt.PlotISFG(G2frame,newPlot=True,plotType='G(R)') 4996 G2plt.PlotISFG(G2frame,newPlot=False,plotType='G(R)') 4985 G2plt.PlotISFG(G2frame,data,newPlot=True,plotType='I(Q)') 4986 G2plt.PlotISFG(G2frame,data,newPlot=True,plotType='S(Q)') 4987 G2plt.PlotISFG(G2frame,data,newPlot=True,plotType='F(Q)') 4988 G2plt.PlotISFG(G2frame,data,newPlot=False,plotType='G(R)') 4997 4989 else: 4998 G2plt.PlotISFG(G2frame, newPlot=False)4990 G2plt.PlotISFG(G2frame,data,newPlot=False) 4999 4991 5000 4992 def OnComputeAllPDF(event): … … 5057 5049 print(msg) 5058 5050 # what item is being plotted? -- might be better to select from tree 5059 G2plt.PlotISFG(G2frame, newPlot=True,plotType='I(Q)')5060 G2plt.PlotISFG(G2frame, newPlot=True,plotType='S(Q)')5061 G2plt.PlotISFG(G2frame, newPlot=True,plotType='F(Q)')5062 G2plt.PlotISFG(G2frame, newPlot=True,plotType='G(R)')5051 G2plt.PlotISFG(G2frame,data,newPlot=True,plotType='I(Q)') 5052 G2plt.PlotISFG(G2frame,data,newPlot=True,plotType='S(Q)') 5053 G2plt.PlotISFG(G2frame,data,newPlot=True,plotType='F(Q)') 5054 G2plt.PlotISFG(G2frame,data,newPlot=True,plotType='G(R)') 5063 5055 5064 5056 # Routine UpdatePDFGrid starts here … … 5111 5103 G2frame.dataFrame.Bind(wx.EVT_MENU, OnComputePDF, id=G2gd.wxID_PDFCOMPUTE) 5112 5104 G2frame.dataFrame.Bind(wx.EVT_MENU, OnComputeAllPDF, id=G2gd.wxID_PDFCOMPUTEALL) 5113 # G2frame.dataFrame.Bind(wx.EVT_MENU, OnOptimizePDF, id=G2gd.wxID_PDFOPT)5114 5105 mainSizer = wx.BoxSizer(wx.VERTICAL) 5115 5106 … … 5264 5255 Size = mainSizer.Fit(G2frame.dataFrame) 5265 5256 G2frame.dataFrame.setSizePosLeft(Size) 5266 # G2frame.dataFrame.SendSizeEvent() # for Mac, but not needed due to Bob's size+1 change in setSizePosLeft 5257 ############################################################################################################### 5258 #UpdatePDFPeaks: peaks in G(r) 5259 ############################################################################################################### 5260 def UpdatePDFPeaks(G2frame,peaks,data): 5261 5262 5263 if G2frame.dataDisplay: 5264 G2frame.dataFrame.Clear() 5265 G2gd.SetDataMenuBar(G2frame,G2frame.dataFrame.PDFPksMenu) 5266 if not G2frame.dataFrame.GetStatusBar(): 5267 Status = G2frame.dataFrame.CreateStatusBar() 5268 G2frame.dataDisplay = wx.Panel(G2frame.dataFrame) 5269 # G2frame.dataFrame.Bind(wx.EVT_MENU, OnCopyPDFControls, id=G2gd.wxID_PDFCOPYCONTROLS) 5270 # G2frame.dataFrame.Bind(wx.EVT_MENU, OnSavePDFControls, id=G2gd.wxID_PDFSAVECONTROLS) 5271 mainSizer = wx.BoxSizer(wx.VERTICAL) 5272 mainSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' PDF peaks: '),0,WACV) 5273 mainSizer.Add((5,5),0) 5274 5275 5276 5277 mainSizer.Layout() 5278 G2frame.dataDisplay.SetSizer(mainSizer) 5279 Size = mainSizer.Fit(G2frame.dataFrame) 5280 Size = (500,300) 5281 G2frame.dataFrame.setSizePosLeft(Size) 5282 -
trunk/defaultIparms.py
r2515 r2659 34 34 defaultIparm_lbl = [] 35 35 defaultIparms = [] 36 36 ''' the phrase 'lab data' in the following makes the default goniometer type='Bragg-Brentano' 37 otherwise it is set to 'Debye-Scherrer' 38 ''' 37 39 defaultIparm_lbl.append('CuKa lab data') 38 40 defaultIparms.append([
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