forEach.h File Reference
Go to the source code of this file.
Namespaces |
namespace | BALL |
Defines |
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#define | BALL_FOREACH_MOLECULE(molecule_container, molecule_iterator) |
#define | BALL_FOREACH_FRAGMENT(fragment_container, fragment_iterator) |
#define | BALL_FOREACH_ATOMCONTAINER(atom_containers, atom_container_iterator) |
#define | BALL_FOREACH_ATOM(atom_container, atom_iterator) |
#define | BALL_FOREACH_ATOM_BOND(bond_container, bond_iterator) |
#define | BALL_FOREACH_ATOM_PAIR(atom_container, first_atom_iterator, second_atom_iterator) |
#define | BALL_FOREACH_BOND(atom_container, atom_iterator, bond_iterator) |
#define | BALL_FOREACH_INTERBOND(atom_container, atom_iterator, bond_iterator) |
#define | BALL_FOREACH_INTRABOND(atom_container, atom_iterator, bond_iterator) |
#define | BALL_FOREACH_PROTEIN(protein_container, protein_iterator) |
#define | BALL_FOREACH_CHAIN(chain_container, chain_iterator) |
#define | BALL_FOREACH_SECONDARYSTRUCTURE(secondary_structure_container, secondary_structure_iterator) |
#define | BALL_FOREACH_RESIDUE(residue_container, residue_iterator) |
#define | BALL_FOREACH_PDBATOM(pdb_atom_container, pdb_atom_iterator) |
Define Documentation
#define BALL_FOREACH_ATOM |
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atom_container, |
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atom_iterator |
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Value:for (atom_iterator = (atom_container).beginAtom(); \
!atom_iterator.isEnd(); ++atom_iterator)
Atom iterator macro. Convenience macro for easy iteration over all atoms of {atom_container}.
- Parameters:
-
- See also:
- Atom
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AtomIterator
#define BALL_FOREACH_ATOM_BOND |
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bond_container, |
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bond_iterator |
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Value:for (bond_iterator = (bond_container).beginBond(); \
!bond_iterator.isEnd(); ++bond_iterator)
Atom bond iterator macro. Convenience macro for easy iteration over all bonds of {bond_container}.
- Parameters:
-
- See also:
- Atom
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Bond
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AtomBondIterator
#define BALL_FOREACH_ATOM_PAIR |
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atom_container, |
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first_atom_iterator, |
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second_atom_iterator |
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Value: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))
Atom pair iterator macro. Convenience macro for easy iteration over all atom pairs of {atom_container}.
- Parameters:
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| atom_container | container of Atom instances |
| first_atom_iterator | first AtomIterator instance |
| second_atom_iterator | second AtomIterator instance |
- See also:
- Atom
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AtomIterator
#define BALL_FOREACH_ATOMCONTAINER |
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atom_containers, |
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atom_container_iterator |
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Value:for (atom_container_iterator = (atom_containers).beginAtomContainer(); \
!atom_container_iterator.isEnd(); ++atom_container_iterator)
AtomContainer iterator macro. Convenience macro for easy iteration over all atom containers of {atom_container}.
- Parameters:
-
- See also:
- AtomContainer
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AtomContainerIterator
#define BALL_FOREACH_BOND |
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atom_container, |
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atom_iterator, |
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bond_iterator |
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Value: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()))
Bond iterator macro. Convenience macro for easy iteration over all bonds of all atoms in {atom_container}.
- Parameters:
-
- See also:
- Atom
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Bond
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AtomIterator
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AtomBondIterator
#define BALL_FOREACH_CHAIN |
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chain_container, |
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chain_iterator |
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Value:for (chain_iterator = (chain_container).beginChain(); \
!chain_iterator.isEnd(); ++chain_iterator)
Chain iterator macro. Convenience macro for easy iteration over all chains of {chain_container}.
- Parameters:
-
#define BALL_FOREACH_FRAGMENT |
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fragment_container, |
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fragment_iterator |
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Value:for (fragment_iterator = (fragment_container).beginFragment(); \
!fragment_iterator.isEnd(); ++fragment_iterator)
Fragment iterator macro. Convenience macro for easy iteration over all fragments of {fragment_container}.
- Parameters:
-
- See also:
- Fragment
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FragmentIterator
#define BALL_FOREACH_INTERBOND |
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atom_container, |
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atom_iterator, |
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bond_iterator |
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Value: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()))
Intermolecular bond iterator macro. Convenience macro for easy iteration over all intermolecular bonds of atoms in {atom_container}.
- Parameters:
-
#define BALL_FOREACH_INTRABOND |
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atom_container, |
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atom_iterator, |
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bond_iterator |
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Value: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()))
Intramolecular bond iterator macro. Convenience macro for easy iteration over all intramolecular (internal) bonds of {atom_container}.
- Parameters:
-
#define BALL_FOREACH_MOLECULE |
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molecule_container, |
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molecule_iterator |
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Value:for (molecule_iterator = (molecule_container).beginMolecule(); \
!molecule_iterator.isEnd(); ++molecule_iterator)
Molecule iterator macro. Convenience macro for easy iteration over all molecules of {molecule_container}.
- Parameters:
-
- See also:
- Molecule
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MoleculeIterator
#define BALL_FOREACH_PDBATOM |
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pdb_atom_container, |
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pdb_atom_iterator |
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Value:for (pdb_atom_iterator = (pdb_atom_container).beginPDBAtom(); \
!pdb_atom_iterator.isEnd(); ++pdb_atom_iterator)
PDBAtom iterator macro. Convenience macro for easy iteration over all PDBAtom s of {pdb_atom_container}.
- Parameters:
-
#define BALL_FOREACH_PROTEIN |
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protein_container, |
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protein_iterator |
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Value:for (protein_iterator = (protein_container).beginProtein(); \
!protein_iterator.isEnd(); ++protein_iterator)
Protein iterator macro. Convenience macro for easy iteration over all proteins of {protein_container}.
- Parameters:
-
- See also:
- Protein
#define BALL_FOREACH_RESIDUE |
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residue_container, |
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residue_iterator |
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Value:for (residue_iterator = (residue_container).beginResidue(); \
!residue_iterator.isEnd(); \
++residue_iterator)
Residue iterator macro. Convenience macro for easy iteration over all residues of {residue_container}.
- Parameters:
-
#define BALL_FOREACH_SECONDARYSTRUCTURE |
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secondary_structure_container, |
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secondary_structure_iterator |
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Value:for (secondary_structure_iterator = (secondary_structure_container).beginSecondaryStructure(); \
!secondary_structure_iterator.isEnd(); ++secondary_structure_iterator)
SecondaryStructure iterator macro. Convenience macro for easy iteration over all secondary structures of {secondary_structure_container}.
- Parameters:
-