[Ifeffit] max number of restraints

Bruce Ravel bravel at anl.gov
Wed Apr 11 09:06:02 CDT 2007

On Tuesday 10 April 2007 18:07, Victor.Streltsov at csiro.au wrote:
> Hi,
> I wonder if there is a way to change a max number of restraints in
> Artemis or Ifeffit. If you have more than 10 restraints in Artemis
> (which is possible to input in Artemis without a warning), the Ifeffit
> gives the following message in "ifeffit interaction buffer":
> *** feffit:: too many restraints
> restraint will be ignored:
> and ignores all restraints after the 10th in the Artemis list.
> Often, you need more than 10 restraints when fitting data for biological
> samples (e.g. bond length restraints etc.)

The number of restraints is a compiled-in limit in Ifeffit.  The only
way I can suggest to increase the number is by setting the parameter
"max_restraint" to something larger in src/lib/consts.h in the ifeffit
source code and then recompile Ifeffit.  

That's not very difficult on a linux machine and will require
rebuilding my codes afterwards to compile the ifeffit wrapper against
the new ifeffit library.  


P.S. If you know how to compile the codes on a Windows machine, please
contact me off the mailing list.  I have a question about compilers
for Windows. 

 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

 Molecular Environmental Science Group, Building 203, Room E-165
 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007

 Argonne National Laboratory         phone and voice mail: (1) 630 252 5033
 Argonne IL 60439, USA                                fax: (1) 630 252 9793

 My homepage:    http://cars9.uchicago.edu/~ravel 
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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