void pr_top(FILE *fp,int indent,char *title,t_topology *top)
{
if (available(fp,top,title)) {
indent=pr_title(fp,indent,title);
(void) pr_indent(fp,indent);
(void) fprintf(fp,"name=\"%s\"\n",*(top->name));
pr_atoms(fp,indent,"atoms",&(top->atoms));
pr_blocks(fp,indent,"blocks",top->blocks,ebNR,eblock_names);
pr_idef(fp,indent,"idef",&top->idef);
}
}
void pr_top(FILE *fp,int indent,const char *title,t_topology *top, gmx_bool bShowNumbers)
{
if (available(fp,top,indent,title)) {
indent=pr_title(fp,indent,title);
(void) pr_indent(fp,indent);
(void) fprintf(fp,"name=\"%s\"\n",*(top->name));
pr_atoms(fp,indent,"atoms",&(top->atoms),bShowNumbers);
pr_atomtypes(fp,indent,"atomtypes",&(top->atomtypes),bShowNumbers);
pr_block(fp,indent,"cgs",&top->cgs, bShowNumbers);
pr_block(fp,indent,"mols",&top->mols, bShowNumbers);
pr_blocka(fp,indent,"excls",&top->excls, bShowNumbers);
pr_idef(fp,indent,"idef",&top->idef,bShowNumbers);
}
}
void pr_top(FILE *fp, int indent, const char *title, const t_topology *top, gmx_bool bShowNumbers)
{
if (available(fp, top, indent, title))
{
indent = pr_title(fp, indent, title);
pr_indent(fp, indent);
fprintf(fp, "name=\"%s\"\n", *(top->name));
pr_atoms(fp, indent, "atoms", &(top->atoms), bShowNumbers);
pr_atomtypes(fp, indent, "atomtypes", &(top->atomtypes), bShowNumbers);
pr_block(fp, indent, "cgs", &top->cgs, bShowNumbers);
pr_block(fp, indent, "mols", &top->mols, bShowNumbers);
pr_str(fp, indent, "bIntermolecularInteractions",
gmx::boolToString(top->bIntermolecularInteractions));
pr_blocka(fp, indent, "excls", &top->excls, bShowNumbers);
pr_idef(fp, indent, "idef", &top->idef, bShowNumbers);
}
}
static void pr_moltype(FILE *fp,int indent,const char *title,
gmx_moltype_t *molt,int n,
gmx_ffparams_t *ffparams,
gmx_bool bShowNumbers)
{
int j;
indent = pr_title_n(fp,indent,title,n);
(void) pr_indent(fp,indent);
(void) fprintf(fp,"name=\"%s\"\n",*(molt->name));
pr_atoms(fp,indent,"atoms",&(molt->atoms),bShowNumbers);
pr_block(fp,indent,"cgs",&molt->cgs, bShowNumbers);
pr_blocka(fp,indent,"excls",&molt->excls, bShowNumbers);
for(j=0; (j<F_NRE); j++) {
pr_ilist(fp,indent,interaction_function[j].longname,
ffparams->functype,&molt->ilist[j],bShowNumbers);
}
}
