[srrietveld bug] SrRietveld closing while opening .pcr file

[dif...@diffpy.org]

reporter: ben...@ifir-conicet.gov.ar

summary: SrRietveld closing while opening .pcr file

description: The problem is that I've set as -2 de Hkl option in the pcr file, which is output for EXPO (from Fullprof user's guide[1]). If I change the Hkl value the problem disapear.

[1]: http://www.ccp14.ac.uk/tutorial/fullprof/doc/fp_text.htm


component: srrietveld

version: 1.0-r6879-20130111

traceback:
Traceback (most recent call last):
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0_r6879_20130111-py2.6.egg\diffpy\srrietveld\gui\errorwrapper.py", line 62, in _f
return func(*args, **kwargs)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0_r6879_20130111-py2.6.egg\diffpy\srrietveld\gui\mainframe.py", line 913, in loadExpPcr
fit = GLOBALS.project.importEngineFile(fullpath, name)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0_r6879_20130111-py2.6.egg\diffpy\srrietveld\project.py", line 339, in importEngineFile
importfile.ImportFile(enginefit)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.pyfullprof-1.0_r6879_20130111-py2.6.egg\diffpy\pyfullprof\pcrfilereader.py", line 101, in ImportFile
goodimport = self.ReadBlock2(fit)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.pyfullprof-1.0_r6879_20130111-py2.6.egg\diffpy\pyfullprof\pcrfilereader.py", line 567, in ReadBlock2
pattern.set("Hkl", int(words[13]))
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.pyfullprof-1.0_r6879_20130111-py2.6.egg\diffpy\pyfullprof\pattern.py", line 224, in set
rvalue = RietveldClass.set(self, param_name, value, index)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.pyfullprof-1.0_r6879_20130111-py2.6.egg\diffpy\pyfullprof\rietveldclass.py", line 202, in set
BaseClass.set(self, name, value, index)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.pyfullprof-1.0_r6879_20130111-py2.6.egg\diffpy\pyfullprof\baseclass.py", line 324, in set
setattr(self, name, self.ParamDict[name].convert(value))
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.pyfullprof-1.0_r6879_20130111-py2.6.egg\diffpy\pyfullprof\infoclass.py", line 206, in convert
(self.name, str(self.rangedict.keys()), str(value)))
ValueError: 'Hkl' can only take a value in '[0, 1, 2, 3, 4, 5, -3]', but '-2' is received.

[Wenduo Zhou]

Apparently, HKL=-2 is relatively new to the time when SrRietveld was developed.  So SrRietveld cannot take -2 as a valid input.  I am not sure when HKL=-2 affects any other parameters' value in the .pcr file.  If it does not, then it should be safe to just add '-2' to HKL's valid input list in \pyfullprof\infoclass.py. 

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