PDFgui Not working no output

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nmr...@gmail.com

unread,
May 20, 2008, 8:08:43 PM5/20/08
to diffpy-dev
I try to run a fit and get no output or errors. I do get this error
file. I have not I idea what is going wrong. I have been working with
Discus, PDFfit, KuPlot for years but I do not understand this problem.



C:\Program Files\DiffPy\library.zip\diffpy\pdfgui\control
\pdfdataset.py:229: DeprecationWarning: raising a string exception is
deprecated
Exception in thread Thread-5:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-6:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-7:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-8:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-9:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-10:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-11:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-4:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-5:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-3:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-4:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-5:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-6:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-7:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-8:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-9:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-10:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-12:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-13:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-2:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-3:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-4:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-5:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-2:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-3:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-5:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-6:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-7:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-8:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-9:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-10:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-11:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-5:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-6:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-7:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-8:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-9:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-10:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-2:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-3:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-4:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-5:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-6:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-2:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

Exception in thread Thread-3:
Traceback (most recent call last):
File "threading.pyc", line 460, in __bootstrap
File "diffpy\pdfgui\control\fitting.pyc", line 88, in run
File "diffpy\pdfgui\control\fitting.pyc", line 402, in run
File "diffpy\pdfgui\control\fitting.pyc", line 347, in configure
File "diffpy\pdfgui\control\fitdataset.pyc", line 361, in
writeResampledObsStr
File "diffpy\pdfgui\control\pdfdataset.pyc", line 286, in writeStr
IndexError: list index out of range

farr...@gmail.com

unread,
May 30, 2008, 11:41:50 AM5/30/08
to diffpy-dev
Hi!

Thanks for the bug report. Sorry it took so long to respond. It
appears that this might be related to another bug that has been
recently fixed. If you wouldn't mind describing the steps you took to
get this error, I can try to reproduce it.

Thanks,

Chris

Stan Toporek

unread,
Jun 2, 2008, 5:39:11 PM6/2/08
to diffp...@googlegroups.com
Chris,

Very easy. I just open the PDFgui. Load the data file and load the
structure file. Set scale factor @1 and Qdamp @2 on the data and press
the run button. PDFfit output shows:

****************************************************************
* P D F F I T Version 1.0b.1792 *
* 2007-12-18 *
* ------------------------------------------------------------ *
* (c) 1998-2007 trustees of the Michigan State University. *
* Authors: *
* Thomas Proffen - Email: tpro...@lanl.gov *
* Jacques Bloch - Email: bl...@pa.msu.edu *
* Chris Farrow - Email: farr...@msu.edu *
* Pavol Juhas - Email: ju...@pa.msu.edu *
* Simon Billinge - Email: bill...@pa.msu.edu *
****************************************************************

Structure file format : PDFFIT
Phase number : 1
Phase title : UNNAMED

Lattice parameters :9.669 5.998 5.851
& angles :90 90 90
Unit cell volume :339.327
Number density :0.0471522
Metric tensor :93.4896 0 0
0 35.976 0
0 0 34.2342

Recip. lat. parameters :0.103423 0.166722 0.170911
& angles :90 90 90
Recip. unit cell vol. :0.00294701
Recip. metric tensor :0.0106964 0 0
0 0.0277963 0
0 0 0.0292106


Nothing happens. No fit.

I attached the files I used.

Thanks,

Stan

cualcl4m.gr.prn
cualcl4melt_pf.stru
stant.vcf

Stan Toporek

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Jun 2, 2008, 5:41:02 PM6/2/08
to diffp...@googlegroups.com
Chris,

Sorry I forgot to include I am running on Microsoft Vista

Thanks,

Stan

stant.vcf

chris farrow

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Jun 3, 2008, 11:58:12 AM6/3/08
to diffp...@googlegroups.com, st...@nc.rr.com
Hi Stan,

Thanks for the files. I'll look into this. It should be fixed in the next release.

Chris Farrow

chris farrow

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Mar 9, 2009, 9:09:47 PM3/9/09
to Jessica Koschmeder, diffp...@googlegroups.com


On Mon, Mar 9, 2009 at 7:27 PM, Jessica Koschmeder <Jessica.K...@gmail.com> wrote:
Hi,

I'm just getting started with this program and am running into the
same errors.  Is there a suggested work around until the new release
is ready?  Thanks!

Jessica Koschmeder

Hi Jessica,

I'm afraid I did not take good notes when fixing this bug, so I I'm not sure about a workaround. If I recall, clicking on the "Nyquist" and then "Data" radio buttons in the "Data Sampling" box on in the "Data Set Configuration" panel might take care of the issue. In any case, we will have a new release of PDFgui very soon. We'll make the announcement on the message board when that occurs.

Good luck. Sorry I couldn't be more helpful.

Chris


--
Christopher L. Farrow
Associate Research Scientist
Applied Physics and Applied Mathematics Department
Columbia University
Office: 4265 Biomedical and Physical Sciences Building
       Michigan State University
       East Lansing, MI 48824-2320
Phone: (517)884-5677
Fax: (517)353-4500
email: clf...@columbia.edu
web: http://www.columbia.edu/~clf2121

Pavol Juhas

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Mar 10, 2009, 2:30:30 PM3/10/09
to diffp...@googlegroups.com, Jessica Koschmeder
Hi Jessica,

I have prepared a pre-release snapshot package, perhaps you can try
if it would work for you. From the error messages you posted
it seems you are using MAC - is it so? It would be really
helpful for us if you could try the pre-release on MAC and
let us know if there are any problems.

To install the pre-relase pdfgui, you need to obtain the setuptools
library for Python, which includes the easy_install script.
If easy_install is already available on your system, you can skip
this step. Otherwise, the setuptools library can be obtained from
http://pypi.python.org/pypi/setuptools

Once setuptools are installed, move away the old pdfgui installation
to prevent potential conflicts.

cd /Library/Frameworks/Python.framework/Versions/2.5/lib/python2.5/site-packages
mv diffpy diffpy.old

Finally install the pre-relase using

easy_install -U -f http://www.diffpy.org/packages/ diffpy.pdfgui

If this worked successfully and pdfgui runs OK, you can delete
the diffpy.old directory with previous installation.

Hope this helps,

Pavol

--
Dr. Pavol Juhas
Applied Physics & Applied Mathematics
Columbia University
Room 200 Mudd Building, MC 4701
500 West 120th Street
New York, NY 10027

Jessica Koschmeder

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Mar 10, 2009, 4:06:43 PM3/10/09
to diffp...@googlegroups.com, Jessica Koschmeder
Hi Pavol,
I am working on a Mac.  I'll give this a try and let you know if I have any luck!
~Jessica
Message has been deleted

Jessica Koschmeder

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Mar 13, 2009, 8:08:38 PM3/13/09
to diffp...@googlegroups.com, Jessica Koschmeder
So I'm having some difficulty with the installation.  I had similar issues regarding gsl files when I installed the last release but I resolved this by just copying the gsl directory into the directory in which it was being called.  I'm not sure if this is the best or most elegant solution but I can't repeat this with easy_install so I'm not sure if my gsl directory is was just installed incorrectly from the beginning or if there's something else I'm missing.  See the print out below:


Macintosh-6:~ jessicakoschmeder$ sudo easy_install -U -f http://www.diffpy.org/packages/ diffpy.pdfgui                           
Password:
Searching for diffpy.pdfgui
Reading http://www.diffpy.org/packages/
Reading http://pypi.python.org/simple/diffpy.pdfgui/
Couldn't retrieve index page for 'diffpy.pdfgui'
Scanning index of all packages (this may take a while)
Reading http://pypi.python.org/simple/
Best match: diffpy.pdfgui 1.0c1.dev-r2837-20090310
Processing diffpy.pdfgui-1.0c1.dev_r2837_20090310-py2.5.egg
diffpy.pdfgui 1.0c1.dev-r2837-20090310 is already the active version in easy-install.pth
Installing pdfgui script to /Library/Frameworks/Python.framework/Versions/2.5/bin

Using /Library/Frameworks/Python.framework/Versions/2.5/lib/python2.5/site-packages/diffpy.pdfgui-1.0c1.dev_r2837_20090310-py2.5.egg
Processing dependencies for diffpy.pdfgui
Searching for diffpy.pdffit2
Reading http://pypi.python.org/simple/diffpy.pdffit2/
Couldn't retrieve index page for 'diffpy.pdffit2'
Best match: diffpy.pdffit2 1.0c1.dev-r2831-20090310
Downloading http://www.diffpy.org/packages/diffpy.pdffit2-1.0c1.dev-r2831-20090310.tar.gz
Processing diffpy.pdffit2-1.0c1.dev-r2831-20090310.tar.gz
Running diffpy.pdffit2-1.0c1.dev-r2831-20090310/setup.py -q bdist_egg --dist-dir /tmp/easy_install-uVh3_g/diffpy.pdffit2-1.0c1.dev-r2831-20090310/egg-dist-tmp-3n9g7g
no previously-included directories found matching 'tests'
libpdffit2/pdf.cc:32:27: error: gsl/gsl_errno.h: No such file or directory
libpdffit2/pdf.cc:33:33: error: gsl/gsl_fft_complex.h: No such file or directory
libpdffit2/pdf.cc:32:27: error: gsl/gsl_errno.h: No such file or directory
libpdffit2/pdf.cc:33:33: error: gsl/gsl_fft_complex.h: No such file or directory
libpdffit2/pdf.cc: In member function 'void DataSet::applyQmaxCutoff(double*, size_t)':
libpdffit2/pdf.cc:133: error: 'gsl_fft_complex_radix2_forward' was not declared in this scope
libpdffit2/pdf.cc:134: error: 'GSL_SUCCESS' was not declared in this scope
libpdffit2/pdf.cc:150: error: 'gsl_fft_complex_radix2_inverse' was not declared in this scope
libpdffit2/pdf.cc:151: error: 'GSL_SUCCESS' was not declared in this scope
libpdffit2/pdf.cc: In member function 'void DataSet::applyQmaxCutoff(double*, size_t)':
libpdffit2/pdf.cc:133: error: 'gsl_fft_complex_radix2_forward' was not declared in this scope
libpdffit2/pdf.cc:134: error: 'GSL_SUCCESS' was not declared in this scope
libpdffit2/pdf.cc:150: error: 'gsl_fft_complex_radix2_inverse' was not declared in this scope
libpdffit2/pdf.cc:151: error: 'GSL_SUCCESS' was not declared in this scope
lipo: can't figure out the architecture type of: /var/tmp//cc8zs7wc.out
error: Setup script exited with error: command 'gcc' failed with exit status 1

Pavol Juhas

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Mar 14, 2009, 12:47:44 AM3/14/09
to diffp...@googlegroups.com, Jessica Koschmeder
On Fri, Mar 13, 2009 at 05:08:38PM -0700, Jessica Koschmeder wrote:
> So I'm having some difficulty with the installation. I had similar issues
> regarding gsl files when I installed the last release but I resolved this by
> just copying the gsl directory into the directory in which it was being
> called. I'm not sure if this is the best or most elegant solution but I
> can't repeat this with easy_install so I'm not sure if my gsl directory is
> was just installed incorrectly from the beginning or if there's something
> else I'm missing. See the print out below:
>
> Macintosh-6:~ jessicakoschmeder$ sudo easy_install -U -f
> http://www.diffpy.org/packages/ diffpy.pdfgui
...


Hi Jessica,

Yes, it seems that your GSL was installed to a non-standard path,
and so it is necessary to tell gcc where to find it.

The first step is to figure where are GSL files by running the
gsl-config script. On my system it shows

$ gsl-config --cflags --libs
-I/usr/include
-L/usr/lib -lgsl -lgslcblas -lm

The directory after "-I" is the location of C header files
(it should have a gsl/ subdirectory) and the directory after "-L"
contains compiled GSL libraries (several libgsl* files). Please,
check if the paths shown by gsl-config exist.

A simple way to tell gcc about these directories is to set
the CPATH and LIBRARY_PATH environment variables. Because
sudo removes environment variables due to security,
you need to define them as part of the sudoed command:

sudo CPATH=path_after_-I LIBRARY_PATH=path_after_-L \


easy_install -U -f http://www.diffpy.org/packages/ diffpy.pdfgui

Another option is to create a short file install_pdfgui containing
------------------------------------------------------------------------
export CPATH=path_after_-I
export LIBRARY_PATH=path_after_-L


easy_install -U -f http://www.diffpy.org/packages/ diffpy.pdfgui

------------------------------------------------------------------------
and run

sudo sh install_pdfgui

There may be one more complication - if easy_install works, but pdfgui
gives an error message "... error while loading shared libraries ...",
you need to add the GSL library path to your LD_LIBRARY_PATH environment
variable. For example, with bash you need to add the following line
to your .bashrc

export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:path_after_-L

Hope this helps, let me know if there are still problems.

Pavol

--
Dr. Pavol Juhas
Applied Physics & Applied Mathematics
Columbia University
Room 200 Mudd Building, MC 4701
500 West 120th Street
New York, NY 10027

tel: +1-212-851-7428
fax: +1-212-854-8257

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