[gmx-developers] Re: include files

[Graham Smith]

Hi - 

The modified version of g_chi I put on the web site the other day 
compiles OK, but if you're building all of gromacs, I've just found
that the changes I've made stop the compilation of g_energy because of
a function name conflict. 

I can fix it by taking some function declarations out of 
gstat.h and putting them in a new file, anadih.h say. It would seem 
logical to move all the anadih functions, so that would mean 
ana_dih_trans, low_ana_dih_trans [new fn by me] 
read_ang_dih, make_histo, calc_distributions_props [and defn of
t_karplus structure], and normalize_histo. anadih.h would then be 
included by g_angle.c and g_chi.c, dlist.c and anadih.c. Does
anybody object? 

Also where should I put this .h file - src/tools/ or include/ ? 
I don't understand what the policy is on this. Maybe I was wrong to
move pp2shift.h to include/ . 

(BTW it looks like any .h files in src/tools should be explicitly
put in [program]_SOURCES in Makefile.am, but those in include/ 
should not - is that right?) 

Thanks for your help 

Graham 

########################################################################

Dr. Graham R. Smith,
Biomolecular Modelling Laboratory,
Cancer Research UK,
44 Lincoln's Inn Fields,
London WC2A 3PX,
U.K.
Tel: +44-(0)20 7269 3348
email: graham.smith at cancer.org.uk
URL: http://www.bmm.icnet.uk/~smithgr