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Fix the file type format issue with rmc #270

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Merged
merged 1 commit into from
Nov 7, 2025
Merged

Fix the file type format issue with rmc #270

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2 changes: 1 addition & 1 deletion GSASII/GSASIIpwd.py
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Original file line number Diff line number Diff line change
Expand Up @@ -3578,7 +3578,7 @@ def MakeRMCPdat(PWDdata,Name,Phase,RMCPdict):
fl.write(' > FITTED_SCALE\n')
else:
fl.write(' > NO_FITTED_SCALE\n')
if Files[File][3] !='RMC':
if Files[File][3] !='RMC' and "PDF" not in Files[File][3]:
fl.write(' > %s\n'%Files[File][3])
if 'reciprocal' in File:
fl.write(' > CONVOLVE ::\n')
Expand Down
21 changes: 17 additions & 4 deletions GSASII/GSASIIrmcGUI.py
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Original file line number Diff line number Diff line change
Expand Up @@ -263,8 +263,21 @@ def OnFileFormat(event):
fil = Indx[Obj.GetId()]
Fmt = Obj.GetStringSelection()
RMCPdict['files'][fil][3] = Fmt
if 'PDF' in Fmt:
RMCPdict['files'][fil][2] = 'G(r)P'
if "G(r)" in fil:
if 'PDF' in Fmt:
RMCPdict['files'][fil][2] = 'G(r)P'
else:
RMCPdict['files'][fil][2] = 'G(r)'
elif "F(Q)" in fil:
if "NEUTRON" in fil.upper():
if 'PDF' in Fmt:
RMCPdict['files'][fil][2] = 'QF(Q) normalized'
else:
RMCPdict['files'][fil][2] = 'F(Q)'
else:
RMCPdict['files'][fil][2] = 'F(Q)'
else:
RMCPdict['files'][fil][2] = 'S(Q)'

def OnPlotBtn(event):
Obj = event.GetEventObject()
Expand Down Expand Up @@ -349,7 +362,7 @@ def OnSeqReverse(event):
mainSizer.Add(topSizer)
Heads = ['Name','File','type','Plot','Delete']
fileSizer = wx.FlexGridSizer(5,5,5)
Formats = ['RMC','GUDRUN','STOG','PDFGET']
Formats = ['RMC','GUDRUN','PDFGET']
for head in Heads:
fileSizer.Add(wx.StaticText(G2frame.FRMC,label=head),0,WACV)
for fil in RMCPdict['files']:
Expand Down Expand Up @@ -538,7 +551,7 @@ def OnSetVal(event):
# RMCProfile & PDFfit (Normal)
Heads = ['Name','File','Format','Weight','Plot','Delete']
fileSizer = wx.FlexGridSizer(6,5,5)
Formats = ['RMC','GUDRUN','STOG','PDFGET']
Formats = ['RMC','GUDRUN','PDFGET']
for head in Heads:
fileSizer.Add(wx.StaticText(G2frame.FRMC,label=head),0,WACV)
for fil in RMCPdict['files']:
Expand Down
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