5 #ifndef BALL_KERNEL_MOLECULE_H
6 #define BALL_KERNEL_MOLECULE_H
8 #ifndef BALL_KERNEL_ATOMCONTAINER_H
12 #ifndef BALL_KERNEL_FRAGMENT_H
16 #ifndef BALL_KERNEL_FRAGMENTITERATOR_H
229 virtual void dump(std::ostream& s = std::cout,
Size depth = 0)
const;
#define BALL_DECLARE_STD_ITERATOR_WRAPPER(container, type, method_name)
#define BALL_KERNEL_DEFINE_ITERATOR_CREATORS(Type)
#define BALL_CREATE_DEEP(name)
BALL_EXPORT FragmentList fragments(const AtomContainer &fragment, bool selected_only=false)
BALL_EXPORT bool operator==(const String &s1, const String &s2)
BALL_EXPORT bool operator!=(const String &s1, const String &s2)
Property
The number of predefined properties for AtomContainer.
const AtomContainer * getSuperAtomContainer() const
void persistentRead(PersistenceManager &pm)
virtual void dump(std::ostream &s=std::cout, Size depth=0) const
void persistentWrite(PersistenceManager &pm, const char *name=0) const
void insertBefore(Molecule &molecule, Composite &composite)
void insert(AtomContainer &atom_container)
const System * getSystem() const
void insertBefore(AtomContainer &atom_container, Composite &before)
void splice(AtomContainer &atom_container)
void swap(Molecule &molecule)
void prepend(AtomContainer &atom_container)
bool remove(Molecule &molecule)
void set(const Molecule &molecule, bool deep=true)
void get(Molecule &molecule, bool deep=true) const
Molecule(const String &name)
void append(Molecule &molecule)
Molecule(const AtomContainer &atomContainer, bool deep=true)
void insertAfter(AtomContainer &atom_container, Composite &after)
void insertAfter(Molecule &molecule, Composite &composite)
void insertBefore(Atom &atom, Composite &before)
const Molecule * getMolecule() const
AtomContainer * getSuperAtomContainer()
void spliceBefore(AtomContainer &atom_container)
void insert(Molecule &molecule)
virtual bool isMolecule() const
Molecule(const Molecule &molecule, bool deep=true)
bool remove(AtomContainer &atom_container)
void append(AtomContainer &atom_container)
void prepend(Molecule &molecule)
void insertAfter(Atom &atom, Composite &after)
void spliceAfter(AtomContainer &atom_container)
bool isSubAtomContainerOf(const AtomContainer &atom_container) const