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class System
: AtomContainer,
PropertyManager
{
%TypeHeaderCode
#include <BALL/KERNEL/system.h>
%End
public:
System();
System(const System&, bool deep = true);
System(const String&);
~System() throw();
virtual void clear() throw();
virtual void destroy() throw();
void set(const System&, bool = true);
void get(System&, bool = true) const;
void swap(System&);
void setName(const String&);
const String& getName() const;
Molecule* getMolecule(Position position);
Protein* getProtein(Position position);
Size countMolecules() const;
Size countFragments() const;
Size countAtoms() const;
Size countSecondaryStructures() const;
Size countResidues() const;
Size countChains() const;
Size countProteins() const;
void prepend(Molecule& /Transfer/);
void append(Molecule& /Transfer/);
void insert(Molecule& /Transfer/);
void insertBefore(Molecule& /Transfer/, Composite&);
void insertAfter(Molecule& /Transfer/, Composite&);
bool remove(Molecule&);
void spliceBefore(System&);
void spliceAfter(System&);
void splice(System&);
void destroyBonds();
virtual bool isValid() const throw();
FragmentIterator iterfragments();
%MethodCode
return BALL_CONVERT_FROM_INSTANCE(new FragmentIterator(sipCpp->beginFragment()), FragmentIterator, Py_None);
%End
ChainIterator iterchains();
%MethodCode
return BALL_CONVERT_FROM_INSTANCE(new ChainIterator(sipCpp->beginChain()), ChainIterator, Py_None);
%End
ResidueIterator iterresidues();
%MethodCode
return BALL_CONVERT_FROM_INSTANCE(new ResidueIterator(sipCpp->beginResidue()), ResidueIterator, Py_None);
%End
MoleculeIterator itermolecules();
%MethodCode
return BALL_CONVERT_FROM_INSTANCE(new MoleculeIterator(sipCpp->beginMolecule()), MoleculeIterator, Py_None);
%End
ProteinIterator iterproteins();
%MethodCode
return BALL_CONVERT_FROM_INSTANCE(new ProteinIterator(sipCpp->beginProtein()), ProteinIterator, Py_None);
%End
SIP_PYOBJECT __str__();
%MethodCode
sipRes = PyString_FromString(String(String("System ") + sipCpp->getName()
+ " { " + String(sipCpp->countMolecules()) + " molecules, "
+ String(sipCpp->countAtoms()) + " atoms }").c_str());
%End
};
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