static void pr_groups(FILE *fp,int indent,const char *title,
gmx_groups_t *groups,
gmx_bool bShowNumbers)
{
int grpnr[egcNR];
int nat_max,i,g;
pr_grps(fp,indent,"grp",groups->grps,groups->grpname,bShowNumbers);
pr_strings(fp,indent,"grpname",groups->grpname,groups->ngrpname,bShowNumbers);
(void) pr_indent(fp,indent);
fprintf(fp,"groups ");
for(g=0; g<egcNR; g++)
{
printf(" %5.5s",gtypes[g]);
}
printf("\n");
(void) pr_indent(fp,indent);
fprintf(fp,"allocated ");
nat_max = 0;
for(g=0; g<egcNR; g++)
{
printf(" %5d",groups->ngrpnr[g]);
nat_max = max(nat_max,groups->ngrpnr[g]);
}
printf("\n");
if (nat_max == 0)
{
(void) pr_indent(fp,indent);
fprintf(fp,"groupnr[%5s] =","*");
for(g=0; g<egcNR; g++)
{
fprintf(fp," %3d ",0);
}
fprintf(fp,"\n");
}
else
{
for(i=0; i<nat_max; i++)
{
(void) pr_indent(fp,indent);
fprintf(fp,"groupnr[%5d] =",i);
for(g=0; g<egcNR; g++)
{
fprintf(fp," %3d ",
groups->grpnr[g] ? groups->grpnr[g][i] : 0);
}
fprintf(fp,"\n");
}
}
}
static void pr_atoms(FILE *fp,int indent,char *title,t_atoms *atoms)
{
if (available(fp,atoms,title))
{
indent=pr_title(fp,indent,title);
pr_atom(fp,indent,"atom",atoms->atom,atoms->nr);
pr_grps(fp,indent,"grp",atoms->grps,egcNR,atoms->grpname);
pr_strings(fp,indent,"atom",atoms->atomname,atoms->nr);
pr_strings2(fp,indent,"type",atoms->atomtype,atoms->atomtypeB,atoms->nr);
pr_strings(fp,indent,"residue",atoms->resname,atoms->nres);
pr_strings(fp,indent,"grpname",atoms->grpname,atoms->ngrpname);
pr_block(fp,indent,"excl",&atoms->excl);
}
}
