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class AtomContainer
: Composite,
PropertyManager
{
%TypeHeaderCode
#include <BALL/KERNEL/atomContainer.h>
%End
public:
enum Property
{
NUMBER_OF_PROPERTIES = 0
};
AtomContainer();
AtomContainer(const AtomContainer&, bool = true);
AtomContainer(const String&);
~AtomContainer() throw();
virtual void clear() throw();
virtual void destroy() throw();
void set(const AtomContainer&, bool = true);
void get(AtomContainer&, bool = true) const;
void swap(AtomContainer&);
void setName(const String&);
const String& getName() const;
AtomContainer* getSuperAtomContainer();
AtomContainer* getAtomContainer(Position);
Atom* getAtom(Position);
Atom* getAtom(const String&);
Size countAtomContainers() const;
Size countAtoms() const;
Size countBonds() const;
Size countInterBonds() const;
Size countIntraBonds() const;
void prepend(Atom&);
void append(Atom&);
void insert(Atom&);
void insertBefore(Atom&, Composite&);
void insertAfter(Atom&, Composite&);
bool remove(Atom&);
void prepend(AtomContainer&);
void append(AtomContainer&);
void insert(AtomContainer&);
void insertBefore(AtomContainer&, Composite&);
void insertAfter(AtomContainer&, Composite&);
void spliceBefore(AtomContainer&);
void spliceAfter(AtomContainer&);
void splice(AtomContainer&);
bool remove(AtomContainer&);
void destroyBonds();
bool isSubAtomContainerOf(const AtomContainer&) const;
bool isSuperAtomContainerOf(const AtomContainer&) const;
virtual bool isValid() const throw();
bool apply(AtomProcessor&);
bool apply(ChainProcessor&);
bool apply(CompositeProcessor&);
bool apply(FragmentProcessor&);
bool apply(ResidueProcessor&);
AtomIterator iteratoms();
%MethodCode
return BALL_CONVERT_FROM_INSTANCE(new AtomIterator(sipCpp->beginAtom()), AtomIterator, Py_None);
%End
SIP_PYOBJECT __str__();
%MethodCode
sipRes = PyString_FromString(String(String("AtomContainer ") + sipCpp->getName()
+ " { " + String(sipCpp->countAtoms()) + " atoms }").c_str());
%End
};
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