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add filetype for GETPDF G(r) data - not tested in RMCProfile!
1 parent b6d6ba6 commit 277c2e7

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2 files changed

+10
-5
lines changed

2 files changed

+10
-5
lines changed

GSASII/GSASIIphsGUI.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -6784,7 +6784,7 @@ def OnViewRMC(event):
67846784
lines=True,names=Names[3:])
67856785

67866786
#get atoms from rmc6f file
6787-
rmc6fName = os.path.join(path,pName+'.rmc6f')
6787+
rmc6fName = pName+'.rmc6f'
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rmc6f = open(rmc6fName,'r')
67896789
rmc6fAtoms = []
67906790
while True:

GSASII/GSASIIrmcGUI.py

Lines changed: 9 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -261,7 +261,10 @@ def OnFileSel(event):
261261
def OnFileFormat(event):
262262
Obj = event.GetEventObject()
263263
fil = Indx[Obj.GetId()]
264-
RMCPdict['files'][fil][3] = Obj.GetStringSelection()
264+
Fmt = Obj.GetStringSelection()
265+
RMCPdict['files'][fil][3] = Fmt
266+
if 'PDF' in Fmt:
267+
RMCPdict['files'][fil][2] = 'G(r)P'
265268

266269
def OnPlotBtn(event):
267270
Obj = event.GetEventObject()
@@ -346,7 +349,7 @@ def OnSeqReverse(event):
346349
mainSizer.Add(topSizer)
347350
Heads = ['Name','File','type','Plot','Delete']
348351
fileSizer = wx.FlexGridSizer(5,5,5)
349-
Formats = ['RMC','GUDRUN','STOG']
352+
Formats = ['RMC','GUDRUN','STOG','PDFGET']
350353
for head in Heads:
351354
fileSizer.Add(wx.StaticText(G2frame.FRMC,label=head),0,WACV)
352355
for fil in RMCPdict['files']:
@@ -412,7 +415,7 @@ def OnSeqReverse(event):
412415
if G2frame.RMCchoice == 'PDFfit' and RMCPdict['refinement'] == 'sequential':
413416

414417
def OnAddPDF(event):
415-
''' Add PDF G(r)s while maintanining original sequence
418+
''' Add PDF G(r)s while maintaining original sequence
416419
'''
417420
usedList = RMCPdict['seqfiles']
418421
PDFlist = [item[1:][0] for item in G2frame.GetFileList('PDF')]
@@ -535,7 +538,7 @@ def OnSetVal(event):
535538
# RMCProfile & PDFfit (Normal)
536539
Heads = ['Name','File','Format','Weight','Plot','Delete']
537540
fileSizer = wx.FlexGridSizer(6,5,5)
538-
Formats = ['RMC','GUDRUN','STOG']
541+
Formats = ['RMC','GUDRUN','STOG','PDFGET']
539542
for head in Heads:
540543
fileSizer.Add(wx.StaticText(G2frame.FRMC,label=head),0,WACV)
541544
for fil in RMCPdict['files']:
@@ -548,6 +551,8 @@ def OnSetVal(event):
548551
Indx[filSel.GetId()] = fil
549552
fileSizer.Add(filSel,0,WACV)
550553
nform = 3
554+
if 'G(r)' in fil:
555+
nform = 4
551556
Name = 'Ndata'
552557
if 'Xray' in fil:
553558
nform = 1

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