KERNEL/forEach.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: forEach.h,v 1.16 2004/02/18 23:24:04 oliver Exp $
//

#ifndef BALL_KERNEL_FOREACH_H
#define BALL_KERNEL_FOREACH_H

// This is mostly to allow Doxygen to put the macros to where they belong
namespace BALL
{


#define BALL_FOREACH_MOLECULE(molecule_container, molecule_iterator) \
for (molecule_iterator = (molecule_container).beginMolecule(); \
     !molecule_iterator.isEnd(); ++molecule_iterator)


#define BALL_FOREACH_FRAGMENT(fragment_container, fragment_iterator) \
for (fragment_iterator = (fragment_container).beginFragment(); \
     !fragment_iterator.isEnd(); ++fragment_iterator)


#define BALL_FOREACH_ATOMCONTAINER(atom_containers, atom_container_iterator) \
for (atom_container_iterator = (atom_containers).beginAtomContainer(); \
     !atom_container_iterator.isEnd(); ++atom_container_iterator)


#define BALL_FOREACH_ATOM(atom_container, atom_iterator) \
for (atom_iterator = (atom_container).beginAtom(); \
     !atom_iterator.isEnd(); ++atom_iterator)


#define BALL_FOREACH_ATOM_BOND(bond_container, bond_iterator) \
for (bond_iterator = (bond_container).beginBond(); \
     !bond_iterator.isEnd(); ++bond_iterator)


#define BALL_FOREACH_ATOM_PAIR(atom_container, first_atom_iterator, second_atom_iterator) \
for (first_atom_iterator = (atom_container).beginAtom(); \
     !first_atom_iterator.isEnd(); ++first_atom_iterator) \
  for (second_atom_iterator = (atom_container).beginAtom(); \
       !second_atom_iterator.isEnd(); ++second_atom_iterator) \
    if ((*first_atom_iterator) < (*second_atom_iterator))


#define BALL_FOREACH_BOND(atom_container, atom_iterator, bond_iterator) \
for (atom_iterator = (atom_container).beginAtom(); \
     !atom_iterator.isEnd(); ++atom_iterator) \
  for (bond_iterator = (*atom_iterator).beginBond(); \
       !bond_iterator.isEnd(); ++bond_iterator) \
    if ((*bond_iterator).getFirstAtom() == &(*atom_iterator) \
        || !(atom_container).isAncestorOf(*(*bond_iterator).getFirstAtom()))


#define BALL_FOREACH_INTERBOND(atom_container, atom_iterator, bond_iterator) \
for (atom_iterator = (atom_container).beginAtom(); \
     !atom_iterator.isEnd(); ++atom_iterator) \
  for (bond_iterator = (*atom_iterator).beginBond(); \
       !bond_iterator.isEnd(); ++bond_iterator) \
    if (((*bond_iterator).getFirstAtom() == &(*atom_iterator) \
         && !(atom_container).isAncestorOf(*(*bond_iterator).getSecondAtom())) \
         || !(atom_container).isAncestorOf(*(*bond_iterator).getFirstAtom()))


#define BALL_FOREACH_INTRABOND(atom_container, atom_iterator, bond_iterator) \
for (atom_iterator = (atom_container).beginAtom(); \
     !atom_iterator.isEnd(); ++atom_iterator) \
  for (bond_iterator = (*atom_iterator).beginBond(); \
       !bond_iterator.isEnd(); ++bond_iterator) \
    if ((*bond_iterator).getFirstAtom() == &(*atom_iterator) \
        && (atom_container).isAncestorOf(*(*bond_iterator).getSecondAtom()))

      
#define BALL_FOREACH_PROTEIN(protein_container, protein_iterator) \
for (protein_iterator = (protein_container).beginProtein(); \
     !protein_iterator.isEnd(); ++protein_iterator)


#define BALL_FOREACH_CHAIN(chain_container, chain_iterator) \
for (chain_iterator = (chain_container).beginChain(); \
     !chain_iterator.isEnd(); ++chain_iterator)


#define BALL_FOREACH_SECONDARYSTRUCTURE(secondary_structure_container, secondary_structure_iterator) \
for (secondary_structure_iterator = (secondary_structure_container).beginSecondaryStructure(); \
     !secondary_structure_iterator.isEnd(); ++secondary_structure_iterator)


#define BALL_FOREACH_RESIDUE(residue_container, residue_iterator) \
for (residue_iterator = (residue_container).beginResidue(); \
     !residue_iterator.isEnd(); \
     ++residue_iterator)


#define BALL_FOREACH_PDBATOM(pdb_atom_container, pdb_atom_iterator) \
for (pdb_atom_iterator = (pdb_atom_container).beginPDBAtom(); \
     !pdb_atom_iterator.isEnd(); ++pdb_atom_iterator)


} // namespace BALL

#endif // BALL_KERNEL_FOREACH_H