google-code-export / nmrrestrntsgrid

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The predict_set python file is not affect the porcess #109

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
I put in setting for some entries in this week's batch in the predict_set
file under 

/big/docr/workspace/recoordD/python/recoord2

But it seems that the process is not reading that file. 

Original issue reported on code.google.com by junf...@gmail.com on 20 Aug 2008 at 8:33

GoogleCodeExporter commented 9 years ago

Original comment by junf...@gmail.com on 20 Aug 2008 at 8:33

GoogleCodeExporter commented 9 years ago

Original comment by junf...@gmail.com on 20 Aug 2008 at 8:42

GoogleCodeExporter commented 9 years ago
did you check with Chris?

Original comment by jurge...@gmail.com on 21 Aug 2008 at 8:00

GoogleCodeExporter commented 9 years ago
Yes. The entry 2k5f looked like something I saw last week where all the 
methylenes were labeled HB, HG, etc., 
so we changed them. No difference in the result. After a day of frustration, 
Jundong wondered whether the 
presetsDict was being read, so we tried an experiment. We forced the chain 
mapping for 2k5f to [a, ' ', 1, 
100]. 

No difference. 

The dictionary we were using was 
/big/docr/workspace/recoordD/python/recoord2/presetDict.py

I didn't have time to look through the system variables or try editing an 
alternative presets, but we are 
wondering whether there has been any sort of cvs update that might have reset 
the path.

Original comment by schulte....@gmail.com on 21 Aug 2008 at 1:07

GoogleCodeExporter commented 9 years ago
For my own amusement, and because I hate powerpoint and am procrastinating work 
on my poster, I tried 
running processDOCR_FRED with an extra curly bracket in the presetsDict. 

It ran fine, and we got the same result as we did in the original run.

Original comment by schulte....@gmail.com on 21 Aug 2008 at 1:51

GoogleCodeExporter commented 9 years ago
That is odd - it should've crashed out of the Python code with a missing curly
bracket (because of a syntax error). Are you checking whether 
linkNmrStarData.py code
runs correctly in your wrapper scripts?

Original comment by katekeme...@gmail.com on 21 Aug 2008 at 2:54

GoogleCodeExporter commented 9 years ago
it's now: '...recoord...' instead of '....recoordD....'.
sorry, I forgot relayed the change.

Thanks for your help katekemeier. Would you mind identifying yourself? Perhaps 
you would like to be added to 
this group? Cheers

Original comment by jurge...@gmail.com on 21 Aug 2008 at 3:00

GoogleCodeExporter commented 9 years ago
> That is odd - it should've crashed out

That was the point. We were trying to prove that presets was not being read. It 
turns out that the path was 
changed, but we weren't cc'd on it.

New path:
/big/docr/workspace/recoord/python/recoord2/presetDict.py

it was 
/big/docr/workspace/recoordD/python/recoord2/presetDict.py

Original comment by schulte....@gmail.com on 21 Aug 2008 at 3:01

GoogleCodeExporter commented 9 years ago
Ha that's funny - Google mail was still logged in under my wife's name, hence 
the
unexpected contribution! So katekemeier = wfvranken for the purposes of this 
group.

Original comment by wfvran...@gmail.com on 21 Aug 2008 at 3:16