Changeset 1781
- Timestamp:
- Apr 8, 2015 10:13:30 AM (8 years ago)
- Location:
- trunk
- Files:
-
- 4 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIgrid.py
r1779 r1781 144 144 ] = [wx.NewId() for item in range(12)] 145 145 146 [ wxID_SELECTPHASE,wxID_PWDHKLPLOT,wxID_PWD3DHKLPLOT, 147 ] = [wx.NewId() for item in range( 3)]146 [ wxID_SELECTPHASE,wxID_PWDHKLPLOT,wxID_PWD3DHKLPLOT,wxID_REJECTHKL, 147 ] = [wx.NewId() for item in range(4)] 148 148 149 149 [ wxID_PDFCOPYCONTROLS, wxID_PDFSAVECONTROLS, wxID_PDFLOADCONTROLS, … … 1343 1343 self.ErrorAnal.Append(id=wxID_PWD3DHKLPLOT,kind=wx.ITEM_NORMAL,text='Plot 3D HKLs', 1344 1344 help='Plot HKLs from single crystal data in 3D') 1345 1345 1346 self.ErrorAnal.Append(id=wxID_PWDCOPY,kind=wx.ITEM_NORMAL,text='Copy params', 1346 1347 help='Copy of HKLF parameters') … … 1484 1485 self.ReflEdit.Append(id=wxID_PWD3DHKLPLOT,kind=wx.ITEM_NORMAL,text='Plot 3D HKLs', 1485 1486 help='Plot HKLs from powder pattern in 3D') 1487 self.RejectHKL = self.ReflEdit.Append(id=wxID_REJECTHKL,kind=wx.ITEM_NORMAL,text='Reject selected HKL', 1488 help='Reject selected HKL; make mul < 0') 1486 1489 self.PostfillDataMenu() 1487 1490 -
trunk/GSASIIpwdGUI.py
r1780 r1781 2945 2945 G2plt.Plot3DSngl(G2frame,newPlot=True,Data=controls,hklRef=refList,Title=phaseName) 2946 2946 2947 def OnRejectHKL(event): 2948 phaseName = G2frame.RefList 2949 pId = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,'Phases') 2950 phaseId = G2gd.GetPatternTreeItemId(G2frame,pId,phaseName) 2951 General = G2frame.PatternTree.GetItemPyData(phaseId)['General'] 2952 im = General.get('Super',0) 2953 rowList = G2frame.refTable[phaseName].GetSelectedRows() 2954 for row in rowList: 2955 data[1]['RefList'][row][3+im] *= -1 #toggles mul & -mul 2956 ShowReflTable(phaseName) 2957 2947 2958 def MakeReflectionTable(phaseName): 2948 2959 '''Returns a wx.grid table (G2gd.Table) containing a list of all reflections … … 3006 3017 if needed using MakeReflectionTable 3007 3018 ''' 3008 def setBackgroundColors(im ):3019 def setBackgroundColors(im,it): 3009 3020 for r in range(G2frame.refTable[phaseName].GetNumberRows()): 3010 Fosq = float(G2frame.refTable[phaseName].GetCellValue(r,5+im)) 3011 Fcsq = float(G2frame.refTable[phaseName].GetCellValue(r,7+im)) 3012 sig = float(G2frame.refTable[phaseName].GetCellValue(r,6+im)) 3013 rat = abs(Fosq-Fcsq)/sig 3014 if rat > 10.: 3015 G2frame.refTable[phaseName].SetCellBackgroundColour(r,7+im,wx.RED) 3016 elif rat > 3.0: 3017 G2frame.refTable[phaseName].SetCellBackgroundColour(r,7+im,wx.Colour(255,255,0)) 3018 else: 3019 G2frame.refTable[phaseName].SetCellBackgroundColour(r,7+im,wx.WHITE) 3021 if HKLF: 3022 if float(G2frame.refTable[phaseName].GetCellValue(r,3+im)) < 0.: 3023 G2frame.refTable[phaseName].SetCellBackgroundColour(r,3+im,wx.RED) 3024 Fosq = float(G2frame.refTable[phaseName].GetCellValue(r,5+im)) 3025 Fcsq = float(G2frame.refTable[phaseName].GetCellValue(r,7+im)) 3026 sig = float(G2frame.refTable[phaseName].GetCellValue(r,6+im)) 3027 rat = abs(Fosq-Fcsq)/sig 3028 if rat > 10.: 3029 G2frame.refTable[phaseName].SetCellBackgroundColour(r,7+im,wx.RED) 3030 elif rat > 3.0: 3031 G2frame.refTable[phaseName].SetCellBackgroundColour(r,7+im,wx.Colour(255,255,0)) 3032 # else: 3033 # G2frame.refTable[phaseName].SetCellBackgroundColour(r,7+im,wx.WHITE) 3034 else: #PWDR 3035 if float(G2frame.refTable[phaseName].GetCellValue(r,12+im+it)) < 0.: 3036 G2frame.refTable[phaseName].SetCellBackgroundColour(r,12+im+it,wx.RED) 3020 3037 3021 3038 G2frame.RefList = phaseName 3022 3039 G2frame.dataFrame.SetLabel('Reflection List for '+phaseName) 3040 if HKLF: 3041 Status.SetStatusText('abs(Fo-Fc)/sig > 10 in red; > 3 in yellow; mul < 0 (user rejected) in red') 3042 else: 3043 Status.SetStatusText('Prfo < 0. in red') 3044 it = 0 3045 if HKLF: 3046 im = data[1]['Super'] 3047 else: 3048 if 'T' in data[phaseName]['Type']: 3049 it = 3 3050 im = data[phaseName].get('Super',0) 3023 3051 # has this table already been displayed? 3024 3052 if G2frame.refTable[phaseName].GetTable() is None: … … 3028 3056 G2frame.refTable[phaseName].SetMargins(0,0) 3029 3057 G2frame.refTable[phaseName].AutoSizeColumns(False) 3030 setBackgroundColors( 0)3058 setBackgroundColors(im,it) 3031 3059 # raise the tab (needed for 1st use and from OnSelectPhase) 3032 3060 for PageNum in range(G2frame.dataDisplay.GetPageCount()): … … 3079 3107 G2frame.Bind(wx.EVT_MENU, OnPlotHKL, id=G2gd.wxID_PWDHKLPLOT) 3080 3108 G2frame.Bind(wx.EVT_MENU, OnPlot3DHKL, id=G2gd.wxID_PWD3DHKLPLOT) 3109 G2frame.Bind(wx.EVT_MENU,OnRejectHKL, id=G2gd.wxID_REJECTHKL) 3081 3110 G2frame.dataFrame.SelectPhase.Enable(False) 3082 3111 else: … … 3087 3116 G2frame.Bind(wx.EVT_MENU, OnPlotHKL, id=G2gd.wxID_PWDHKLPLOT) 3088 3117 G2frame.Bind(wx.EVT_MENU, OnPlot3DHKL, id=G2gd.wxID_PWD3DHKLPLOT) 3118 G2frame.dataFrame.RejectHKL.Enable(False) 3089 3119 G2frame.dataFrame.SelectPhase.Enable(False) 3090 3120 -
trunk/GSASIIstrIO.py
r1777 r1781 2073 2073 controlDict[pfx+'SHnames'] = G2lat.GenSHCoeff(SGData['SGLaue'],'0',controlDict[pfx+'SHord'],False) 2074 2074 controlDict[pfx+'SHhkl'] = [] 2075 if hapData['Pref.Ori.'][6][0] != '': 2076 controlDict[pfx+'SHhkl'] = [eval(a.replace(' ',',')) for a in hapData['Pref.Ori.'][6]] 2077 controlDict[pfx+'SHtoler'] = hapData['Pref.Ori.'][7] 2075 try: #patch for old Pref.Ori. items 2076 controlDict[pfx+'SHtoler'] = 0.1 2077 if hapData['Pref.Ori.'][6][0] != '': 2078 controlDict[pfx+'SHhkl'] = [eval(a.replace(' ',',')) for a in hapData['Pref.Ori.'][6]] 2079 controlDict[pfx+'SHtoler'] = hapData['Pref.Ori.'][7] 2080 except IndexError: 2081 pass 2078 2082 for item in hapData['Pref.Ori.'][5]: 2079 2083 hapDict[pfx+item] = hapData['Pref.Ori.'][5][item] -
trunk/GSASIIstrMath.py
r1777 r1781 2704 2704 ref[7+im] = parmDict[phfx+'Scale']*ref[9+im]*ref[11+im] #correct Fc^2 for extinction 2705 2705 ref[8+im] = ref[5+im]/(parmDict[phfx+'Scale']*ref[11+im]) 2706 if w*ref[5+im] >= calcControls['minF/sig'] :2706 if w*ref[5+im] >= calcControls['minF/sig'] and ref[3+im] > 0: #min cutoff & user rejection 2707 2707 Fo = np.sqrt(ref[5+im]) 2708 2708 sumFo += Fo … … 2722 2722 Fc = np.sqrt(ref[7+im]) 2723 2723 w = 2.0*Fo/ref[6+im] 2724 if w*Fo >= calcControls['minF/sig'] :2724 if w*Fo >= calcControls['minF/sig'] and ref[3+im] > 0: #min cutoff & user rejection 2725 2725 sumFo += Fo 2726 2726 sumFo2 += ref[5+im]
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