Ejemplo n.º 1
0
void pr_atoms(FILE *fp,int indent,const char *title,t_atoms *atoms, 
	      gmx_bool bShownumbers)
{
  if (available(fp,atoms,indent,title))
    {
      indent=pr_title(fp,indent,title);
      pr_atom(fp,indent,"atom",atoms->atom,atoms->nr);
      pr_strings(fp,indent,"atom",atoms->atomname,atoms->nr,bShownumbers);
      pr_strings2(fp,indent,"type",atoms->atomtype,atoms->atomtypeB,atoms->nr,bShownumbers);
      pr_resinfo(fp,indent,"residue",atoms->resinfo,atoms->nres,bShownumbers);
    }
}
Ejemplo n.º 2
0
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);
    }
}