Changeset 4269 for trunk/GSASIIphsGUI.py
- Timestamp:
- Jan 29, 2020 7:51:54 AM (3 years ago)
- File:
-
- 1 edited
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trunk/GSASIIphsGUI.py
r4268 r4269 5159 5159 if os.path.isfile(pName+'.triplets'): 5160 5160 os.remove(pName+'.triplets') 5161 i = 1 5162 while True: 5163 if os.path.isfile(pName+'.bondodf_%d'%i): 5164 os.remove(pName+'.bondodf_%d'%i) 5165 os.remove(pName+'_bondplot_%d.ppm'%i) 5166 i += 1 5167 else: 5168 break 5161 5169 G2frame.OnFileSave(event) 5162 5170 print (' GSAS-II project saved') … … 5215 5223 '_FQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','F(Q)','RMCP F(Q) for '], 5216 5224 '_FT_XFQ1.csv':[r'$\mathsf{R,\AA}$','G(R)','RMCP x-ray G(R) for '], 5217 '_XFQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','F(Q)','RMCP x-ray F(Q) for '],5225 # '_XFQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','F(Q)','RMCP x-ray F(Q) for '], 5218 5226 '_bragg.csv':[r'$\mathsf{TOF,\mu s}$','Normalized Intensity','RMCP bragg for ']} 5227 Ysave = [] 5219 5228 for label in Labels: 5220 5229 X = [] … … 5230 5239 Yobs = np.array([X,Yobs]) 5231 5240 Ycalc = np.array([X,Ycalc]) 5241 if 'G(R)' in Labels[label][1]: 5242 Ysave.append(Yobs) 5243 Ymin = Ysave[0][1][0] 5232 5244 if 'bragg' in label: 5233 5245 Ydiff = np.array([X,(Yobs-Ycalc)[1]]) … … 5261 5273 Partials.append([float(item) for item in items[1:]]) 5262 5274 X = np.array(X) 5275 DX = X[1]-X[0] #should be 0.02 5263 5276 Partials = np.array(Partials).T 5264 5277 if 'Q' in label: … … 5266 5279 Names = [name for name in Names if 'Va' not in name] 5267 5280 else: 5268 XY = [[X.T,Y.T] for Y in Partials] 5269 G2plt.PlotXY(G2frame,XY,labelX=Labels[label][0], 5270 labelY=Labels[label][1],newPlot=True,Title=Labels[label][2]+pName, 5271 lines=True,names=Names[1:]) 5281 XY = [[X.T,(DX*Y.T)+Ymin] for Y in Partials] 5282 if 'G(R)' in Labels[label][1]: 5283 Xmax = np.searchsorted(Ysave[0][0],XY[0][0][-1]) 5284 G2plt.PlotXY(G2frame,XY2=XY,XY=[Ysave[0][:,0:Xmax],],labelX=Labels[label][0], 5285 labelY=Labels[label][1],newPlot=True,Title=Labels[label][2]+pName, 5286 lines=False,names=[r' $G(R)_{obs}$',]+Names[1:]) 5287 else: 5288 G2plt.PlotXY(G2frame,XY,labelX=Labels[label][0], 5289 labelY=Labels[label][1],newPlot=True,Title=Labels[label][2]+pName, 5290 lines=True,names=Names[1:]) 5272 5291 #chi**2 plot 5273 5292 X = []
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