BALL: forEach.h Source File

00001 // -*- Mode: C++; tab-width: 2; -*-
00002 // vi: set ts=2:
00003 //
00004 // $Id: forEach.h,v 1.16 2004/02/18 23:24:04 oliver Exp $
00005 //
00006 
00007 #ifndef BALL_KERNEL_FOREACH_H
00008 #define BALL_KERNEL_FOREACH_H
00009 
00010 // This is mostly to allow Doxygen to put the macros to where they belong
00011 namespace BALL
00012 {
00013 
00019 
00027 #define BALL_FOREACH_MOLECULE(molecule_container, molecule_iterator) \
00028 for (molecule_iterator = (molecule_container).beginMolecule(); \
00029      !molecule_iterator.isEnd(); ++molecule_iterator)
00030 
00031 
00039 #define BALL_FOREACH_FRAGMENT(fragment_container, fragment_iterator) \
00040 for (fragment_iterator = (fragment_container).beginFragment(); \
00041      !fragment_iterator.isEnd(); ++fragment_iterator)
00042 
00043 
00051 #define BALL_FOREACH_ATOMCONTAINER(atom_containers, atom_container_iterator) \
00052 for (atom_container_iterator = (atom_containers).beginAtomContainer(); \
00053      !atom_container_iterator.isEnd(); ++atom_container_iterator)
00054 
00055 
00063 #define BALL_FOREACH_ATOM(atom_container, atom_iterator) \
00064 for (atom_iterator = (atom_container).beginAtom(); \
00065      !atom_iterator.isEnd(); ++atom_iterator)
00066 
00067 
00076 #define BALL_FOREACH_ATOM_BOND(bond_container, bond_iterator) \
00077 for (bond_iterator = (bond_container).beginBond(); \
00078      !bond_iterator.isEnd(); ++bond_iterator)
00079 
00080 
00089 #define BALL_FOREACH_ATOM_PAIR(atom_container, first_atom_iterator, second_atom_iterator) \
00090 for (first_atom_iterator = (atom_container).beginAtom(); \
00091      !first_atom_iterator.isEnd(); ++first_atom_iterator) \
00092   for (second_atom_iterator = (atom_container).beginAtom(); \
00093        !second_atom_iterator.isEnd(); ++second_atom_iterator) \
00094     if ((*first_atom_iterator) < (*second_atom_iterator))
00095 
00096 
00107 #define BALL_FOREACH_BOND(atom_container, atom_iterator, bond_iterator) \
00108 for (atom_iterator = (atom_container).beginAtom(); \
00109      !atom_iterator.isEnd(); ++atom_iterator) \
00110   for (bond_iterator = (*atom_iterator).beginBond(); \
00111        !bond_iterator.isEnd(); ++bond_iterator) \
00112     if ((*bond_iterator).getFirstAtom() == &(*atom_iterator) \
00113         || !(atom_container).isAncestorOf(*(*bond_iterator).getFirstAtom()))
00114 
00115 
00123 #define BALL_FOREACH_INTERBOND(atom_container, atom_iterator, bond_iterator) \
00124 for (atom_iterator = (atom_container).beginAtom(); \
00125      !atom_iterator.isEnd(); ++atom_iterator) \
00126   for (bond_iterator = (*atom_iterator).beginBond(); \
00127        !bond_iterator.isEnd(); ++bond_iterator) \
00128     if (((*bond_iterator).getFirstAtom() == &(*atom_iterator) \
00129          && !(atom_container).isAncestorOf(*(*bond_iterator).getSecondAtom())) \
00130          || !(atom_container).isAncestorOf(*(*bond_iterator).getFirstAtom()))
00131 
00132 
00140 #define BALL_FOREACH_INTRABOND(atom_container, atom_iterator, bond_iterator) \
00141 for (atom_iterator = (atom_container).beginAtom(); \
00142      !atom_iterator.isEnd(); ++atom_iterator) \
00143   for (bond_iterator = (*atom_iterator).beginBond(); \
00144        !bond_iterator.isEnd(); ++bond_iterator) \
00145     if ((*bond_iterator).getFirstAtom() == &(*atom_iterator) \
00146         && (atom_container).isAncestorOf(*(*bond_iterator).getSecondAtom()))
00147 
00148       
00155 #define BALL_FOREACH_PROTEIN(protein_container, protein_iterator) \
00156 for (protein_iterator = (protein_container).beginProtein(); \
00157      !protein_iterator.isEnd(); ++protein_iterator)
00158 
00159 
00165 #define BALL_FOREACH_CHAIN(chain_container, chain_iterator) \
00166 for (chain_iterator = (chain_container).beginChain(); \
00167      !chain_iterator.isEnd(); ++chain_iterator)
00168 
00169 
00176 #define BALL_FOREACH_SECONDARYSTRUCTURE(secondary_structure_container, secondary_structure_iterator) \
00177 for (secondary_structure_iterator = (secondary_structure_container).beginSecondaryStructure(); \
00178      !secondary_structure_iterator.isEnd(); ++secondary_structure_iterator)
00179 
00180 
00186 #define BALL_FOREACH_RESIDUE(residue_container, residue_iterator) \
00187 for (residue_iterator = (residue_container).beginResidue(); \
00188      !residue_iterator.isEnd(); \
00189      ++residue_iterator)
00190 
00191 
00197 #define BALL_FOREACH_PDBATOM(pdb_atom_container, pdb_atom_iterator) \
00198 for (pdb_atom_iterator = (pdb_atom_container).beginPDBAtom(); \
00199      !pdb_atom_iterator.isEnd(); ++pdb_atom_iterator)
00200 
00202 
00203 } // namespace BALL
00204 
00205 #endif // BALL_KERNEL_FOREACH_H