[Objcryst-foxx] Fox v1.2 testing

[Vincent Favre-N. <vi...@us...>]

	Hi,

   I guess it's time to prepare for a new Fow release. I have fixed a 
nasty bug which was introduced 2 months ago and caused random crashes 
(especially under windows...). I also removed a bug when removing a 
scatterer an re-launching an optimization (thanks Lachlan for the 
report). Finally, the 3D crystal structure update during optimization 
should now work under win NT and above.
   Also, you will notice two new options in global optimization objects. 
The first is to save the evolution of all parameters during 
optimisation ; this is of course very slow and only for testing 
purposes, so don't select it (it won't be in the release, but if you 
want to have fun doing statistics on the evolution of parameters to see 
how the drunkard algorithm evolves...). The second is to save regularly 
the best configuration as a full xml file (every 10', 1h, 24h), in case 
you are making a very long run (did you use the sin(theta)/lambda limit 
to run faster ? Hmm??). The auto saved files are put in the directory 
where you launched Fox (in the Fox directory if you launched it from 
its icon).

   You can either update from the current CVS, or download a precompiled 
version from ftp://ftp.unige.ch/pub/soft/crystal/fox/test/. In the same 
directory there are two textured sample data (brucite & tartrate).

   There are two things I still have to work on before release, (i) the 
manual, and (ii) improving the convergence rate when searching texture 
parameters (for the tartrate, the correct solution is rarely found; 
even if the texture is extreme in that case it should be improved). If 
you have data with relatively strong preferred orientation and average 
complexity (something which is typically solved in about 100.00 moves, 
more than brucite), I'm looking for such data for tests !
   If you generated a xml file with the previous version and are using 
texture, I'd suggest right-clicking on the "March Coeff" name and 
reduce the limits to [0.1;10], which will be more reasonable and help 
in the search (it's the default now).

	Cheers,
		Vincent
-- 
Vincent Favre-Nicolin
ESRF- Grenoble, France
http://v.favrenicolin.free.fr
ObjCryst & Fox : http://objcryst.sourceforge.net