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class Protein
: Molecule
{
%TypeHeaderCode
#include <BALL/KERNEL/protein.h>
%End
public:
Protein();
Protein(const Protein&, bool = true);
Protein(const String&, const String& = "" );
~Protein() throw();
virtual void clear() throw();
virtual void destroy() throw();
void set(const Protein&, bool = true);
void get(Protein&, bool = true) const;
void swap(Protein&);
Chain* getChain(int);
SecondaryStructure* getSecondaryStructure(int);
Residue* getResidue(int);
Residue* getNTerminal();
Residue* getCTerminal();
PDBAtom* getPDBAtom(int);
void setID(const String&);
const String& getID() const;
int countChains() const;
int countSecondaryStructures() const;
int countResidues() const;
int countPDBAtoms() const;
virtual bool isValid() const throw();
PDBAtomIterator iterpdbatoms();
%MethodCode
return BALL_CONVERT_FROM_INSTANCE(new PDBAtomIterator(sipCpp->beginPDBAtom()), PDBAtomIterator, Py_None);
%End
SecondaryStructureIterator itersecondarystructure();
%MethodCode
return BALL_CONVERT_FROM_INSTANCE(new SecondaryStructureIterator(sipCpp->beginSecondaryStructure()),
SecondaryStructureIterator,
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
SIP_PYOBJECT __str__();
%MethodCode
sipRes = PyString_FromString(String(String("Protein ") + sipCpp->getName()
+ " { " + String(sipCpp->countResidues()) + " residues }").c_str());
%End
};
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