Changeset 3992
- Timestamp:
- May 23, 2019 8:58:32 AM (4 years ago)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIphsGUI.py
r3991 r3992 4217 4217 UseList = Map['RefList'] 4218 4218 pId = G2gd.GetGPXtreeItemId(G2frame,G2frame.root,UseList[0]) #only use 1st histogram 4219 if not pId: 4220 wx.MessageBox('You must prepare a fourier map before running Dysnomia','Dysnomia Error', 4221 style=wx.ICON_ERROR) 4222 return 4219 4223 reflSets = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,pId,'Reflection Lists')) 4220 4224 reflData = reflSets[generalData['Name']]['RefList'] 4225 if 'Type' not in Map: 4226 wx.MessageBox('You must prepare a fourier map before running Dysnomia','Dysnomia Error', 4227 style=wx.ICON_ERROR) 4228 return 4221 4229 Type = Map['Type'] 4222 4230 MEMtype = 0 … … 4228 4236 prfName = str(G2pwd.makePRFfile(data,MEMtype)) 4229 4237 if not G2pwd.makeMEMfile(data,reflData,MEMtype): 4230 print('non standard space groupsnot permitted in Dysnomia') 4238 SpGrp = generalData['SGData']['SpGrp'] 4239 wx.MessageBox('Non standard space group '+SpGrp+' not permitted in Dysnomia','Dysnomia Error', 4240 style=wx.ICON_ERROR) 4241 return 4242 4243 path2GSAS2 = os.path.dirname(os.path.abspath(os.path.expanduser(__file__))) 4244 DYSNOMIA = os.path.join(path2GSAS2,'Dysnomia','Dysnomia64.exe') 4245 4246 if not os.path.exists(DYSNOMIA): 4247 wx.MessageBox(''' Dysnomia is not installed. Please download it from 4248 https://jp-minerals.org/dysnomia/en/ 4249 and install it at.'''+DYSNOMIA, 4250 caption='Dysnomia not installed',style=wx.ICON_ERROR) 4231 4251 return 4232 4252 … … 4237 4257 doi:10.1017/S088571561300002X''',caption='Dysnomia (MEM)',style=wx.ICON_INFORMATION) 4238 4258 4239 path2GSAS2 = os.path.dirname(os.path.abspath(os.path.expanduser(__file__))) 4240 DYSNOMIA = os.path.join(path2GSAS2,'Dysnomia','Dysnomia64.exe') #TODO; need check if DYSNOMIA exists! 4241 print('Run '+DYSNOMIA) 4242 4259 print('Run '+DYSNOMIA) 4243 4260 subp.call([DYSNOMIA,prfName]) 4244 4261 4245 4262 G2pwd.MEMupdateReflData(prfName,reflData) #auto run Fourier? 4246 4263 OnFourierMaps(event) 4247 4248 4249 4250 4264 4251 4265 ################################################################################
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