Help with python script for NMR

Peter Pearson pkpearson at nowhere.invalid
Sun Mar 27 12:32:35 EDT 2016


On Sun, 27 Mar 2016 08:13:49 -0700 (PDT), mohamadmaaz5 at gmail.com wrote:
> On Sunday, March 27, 2016 at 4:50:01 PM UTC+2, Joel Goldstick wrote:
>> On Sun, Mar 27, 2016 at 10:38 AM, <mohamadmaaz5 at gmail.com> wrote:
>> 
>> > Hello there,
>> > I found a python script in a scientific article that enables a simple
>> > calculation on an NMR spectrum.
>> > I have no experience in programming and i would appreciate it if i can
>> > communicate with someone who can write this script and send it to me by
>> > mail in py format. It's a short script but i keep making alot of mistaken
>> > and it fails every time.
>> > Anyone's interested in helping me ?
[snip]
>> 
>> copy the code here.  You will get help, but people don't generally write
>> programs for others here
>> 
>> -- 
>> Joel Goldstick
>> http://joelgoldstick.com/ <http://joelgoldstick.com/stats/birthdays>
>> http://cc-baseballstats.info/
>
> this is the script. the thing is that i have zero experience in
> writing and i cant find the error. all i need is to embed this script
> to perfome a relatively simple calculation on a spectra. hope anyone
> can help. thanks
>
> #! /usr /bin/envpython
> #encoding:utf- 8
> i m p o r tnmrtec . nmrNotebook . c o n t r o l l e r . C o n t r o [snip]
> i m p o r tnmrtec . u t i l as u t i l
> i m p o r tnmrtec . nmrNotebook . model . common .nmrCommon as nmrcom
> c l a s sBarycentre :
> """
> computesthebarycenterofeach
> definedr e c t a n g l eanddeducesthe
> p o l y d i s p e r s i t yindexofthes o l u t i o n
[snip]

It appears that spaces have been inserted and deleted at many points
in this code, and anybody deciding to help with your project will start
with the task of guessing where spaces need to be inserted and deleted
in order to restore the original code.  Since indentation is important
in Python, this will not be a trivial problem.  If the scientific article
that presented this script shows correct spacing, you should take your
best shot at correcting the spacing.

Also, it appears that several lines begin "import nmrtec", indicating
that this script requires a module named nmrtec.

-- 
To email me, substitute nowhere->runbox, invalid->com.



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