void pr_mtop(FILE *fp,int indent,const char *title,gmx_mtop_t *mtop,
gmx_bool bShowNumbers)
{
int mt,mb;
if (available(fp,mtop,indent,title)) {
indent=pr_title(fp,indent,title);
(void) pr_indent(fp,indent);
(void) fprintf(fp,"name=\"%s\"\n",*(mtop->name));
pr_int(fp,indent,"#atoms",mtop->natoms);
for(mb=0; mb<mtop->nmolblock; mb++) {
pr_molblock(fp,indent,"molblock",&mtop->molblock[mb],mb,
mtop->moltype,bShowNumbers);
}
pr_ffparams(fp,indent,"ffparams",&(mtop->ffparams),bShowNumbers);
pr_atomtypes(fp,indent,"atomtypes",&(mtop->atomtypes),bShowNumbers);
for(mt=0; mt<mtop->nmoltype; mt++) {
pr_moltype(fp,indent,"moltype",&mtop->moltype[mt],mt,
&mtop->ffparams,bShowNumbers);
}
pr_groups(fp,indent,"groups",&mtop->groups,bShowNumbers);
}
}
void pr_mtop(FILE *fp, int indent, const char *title, const gmx_mtop_t *mtop,
gmx_bool bShowNumbers)
{
int mt, mb, j;
if (available(fp, mtop, indent, title))
{
indent = pr_title(fp, indent, title);
pr_indent(fp, indent);
fprintf(fp, "name=\"%s\"\n", *(mtop->name));
pr_int(fp, indent, "#atoms", mtop->natoms);
pr_int(fp, indent, "#molblock", mtop->nmolblock);
for (mb = 0; mb < mtop->nmolblock; mb++)
{
pr_molblock(fp, indent, "molblock", &mtop->molblock[mb], mb, mtop->moltype);
}
pr_str(fp, indent, "bIntermolecularInteractions",
gmx::boolToString(mtop->bIntermolecularInteractions));
if (mtop->bIntermolecularInteractions)
{
for (j = 0; (j < F_NRE); j++)
{
pr_ilist(fp, indent, interaction_function[j].longname,
mtop->ffparams.functype,
&mtop->intermolecular_ilist[j], bShowNumbers);
}
}
pr_ffparams(fp, indent, "ffparams", &(mtop->ffparams), bShowNumbers);
pr_atomtypes(fp, indent, "atomtypes", &(mtop->atomtypes), bShowNumbers);
for (mt = 0; mt < mtop->nmoltype; mt++)
{
pr_moltype(fp, indent, "moltype", &mtop->moltype[mt], mt,
&mtop->ffparams, bShowNumbers);
}
pr_groups(fp, indent, &mtop->groups, bShowNumbers);
}
}
