5#ifndef BALL_KERNEL_ATOMCONTAINER_H
6#define BALL_KERNEL_ATOMCONTAINER_H
8#ifndef BALL_KERNEL_ATOMITERATOR_H
12#ifndef BALL_KERNEL_ATOMCONTAINERITERATOR_H
16#define BALL_ATOMCONTAINER_DEFAULT_NAME ""
45 NUMBER_OF_PROPERTIES = 0
378 virtual void dump(std::ostream& s = std::cout,
Size depth = 0)
const;
#define BALL_KERNEL_DEFINE_ITERATOR_CREATORS(Type)
#define BALL_DECLARE_STD_ITERATOR_WRAPPER(container, type, method_name)
#define BALL_CREATE_DEEP(name)
const Atom * getAtom(const String &name) const
const Atom * getAtom(Position position) const
void setName(const String &name)
Size removeNotHavingProperty(BALL::Property p)
const AtomContainer * getAtomContainer(Position position) const
void swap(AtomContainer &atom_container)
virtual void persistentWrite(PersistenceManager &pm, const char *name=0) const
AtomContainer(const AtomContainer &atom_container, bool deep=true)
Size removeHavingProperty(const string &name)
void spliceBefore(AtomContainer &atom_container)
Atom * getAtom(const String &name)
bool remove(AtomContainer &atom_container)
void insertAfter(AtomContainer &atom_container, Composite &after)
Size removeHavingProperty(BALL::Property p)
Size removeNotHavingProperty(const string &name)
bool applyInterBond(UnaryProcessor< Bond > &processor)
Apply to all bonds connected to atoms outside this AtomContainer.
void append(AtomContainer &atom_container)
Size countAtomContainers() const
AtomContainer * getAtomContainer(Position position)
bool applyIntraBond(UnaryProcessor< Bond > &processor)
Apply to all bonds connecting two atoms inside this AtomContainer.
virtual void persistentRead(PersistenceManager &pm)
void splice(AtomContainer &atom_container)
bool isSuperAtomContainerOf(const AtomContainer &atom_container) const
void get(AtomContainer &atom_container, bool deep=true) const
Atom * getAtom(Position position)
AtomContainer * getSuperAtomContainer()
const String & getName() const
void insert(AtomContainer &atom_container)
void insertAfter(Atom &atom, Composite &after)
virtual void dump(std::ostream &s=std::cout, Size depth=0) const
void set(const AtomContainer &atom_container, bool deep=true)
AtomContainer(const String &name)
void insertBefore(Atom &atom, Composite &before)
void prepend(AtomContainer &atom_container)
bool isSubAtomContainerOf(const AtomContainer &atom_container) const
Property
The number of predefined properties for AtomContainer.
virtual bool isValid() const
Size countIntraBonds() const
Size countInterBonds() const
void insertBefore(AtomContainer &atom_container, Composite &before)
void spliceAfter(AtomContainer &atom_container)
const AtomContainer * getSuperAtomContainer() const