void get_index(t_atoms *atoms, const char *fnm, int ngrps,
int isize[], atom_id *index[], char *grpnames[])
{
char ***gnames;
t_blocka *grps = NULL;
int *grpnr;
snew(grpnr, ngrps);
snew(gnames, 1);
if (fnm != NULL)
{
grps = init_index(fnm, gnames);
}
else if (atoms)
{
snew(grps, 1);
snew(grps->index, 1);
analyse(atoms, grps, gnames, FALSE, FALSE);
}
else
{
gmx_incons("You need to supply a valid atoms structure or a valid index file name");
}
rd_groups(grps, *gnames, grpnames, ngrps, isize, index, grpnr);
}
void rd_index_nrs(char *statfile,int ngrps,int isize[],
atom_id *index[],char *grpnames[],int grpnr[])
{
char **gnames;
t_blocka *grps;
if (!statfile)
gmx_fatal(FARGS,"No index file specified");
grps=init_index(statfile,&gnames);
rd_groups(grps,gnames,grpnames,ngrps,isize,index,grpnr);
}
void rd_index(const char *statfile, int ngrps, int isize[],
atom_id *index[], char *grpnames[])
{
char **gnames;
t_blocka *grps;
int *grpnr;
snew(grpnr, ngrps);
if (!statfile)
{
gmx_fatal(FARGS, "No index file specified");
}
grps = init_index(statfile, &gnames);
rd_groups(grps, gnames, grpnames, ngrps, isize, index, grpnr);
}
