mailRe: Relaxation dispersion curve fitting in C or python ?


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by Edward d'Auvergne on January 11, 2009 - 23:30:
Hi,

Do you have much experience with C?  My C knowledge is pretty bad, so
I may not pick up all bugs.  If you would like to go with Python, you
can just mimic the model-free code setup of math_fns/mf.py.  If you
would like to go with C, then just mimic the relaxation exponential
curve-fitting.  I have no idea how complex the optimisation problem is
so I don't know if C will give a significant speed up or not.  But as
this is your code, this is completely your choice!

Regards,

Edward


P.S.  If you go with C, then the scons scripts will need to be
modified so that your code will be compiled.


On Sun, Jan 11, 2009 at 11:23 PM, Sébastien Morin
<sebastien.morin.1@xxxxxxxxx> wrote:
Hi,

I would like to start to write the curve fitting code for relaxation
dispersion this week...

As discussed before in another thread
(https://mail.gna.org/public/relax-devel/2009-01/msg00011.html), C
coding would yield faster code, but python would be easier to
implement... However, since relaxation curve fitting (R1 and R2) is
already implemented in C, I think this might prove easier than coding
from scratch...

So, if writing this code in C (which I would prefer), where should I
start ? What other code should I look at ? What should my code include
different from the R1/R2 curve fitting code (maybe because of the higher
number of variables in relaxation dispersion curve fitting) ?

Thanks for help !


Séb  :)


_______________________________________________
relax (http://nmr-relax.com)

This is the relax-devel mailing list
relax-devel@xxxxxxx

To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel




Related Messages


Powered by MHonArc, Updated Mon Jan 12 10:20:58 2009