1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67
|
class Chain
: AtomContainer
{
%TypeHeaderCode
#include <BALL/KERNEL/chain.h>
%End
public:
Chain();
Chain(const Chain&, bool = true);
Chain(const String&);
~Chain() throw();
virtual void clear() throw();
virtual void destroy() throw();
void set(const Chain&, bool = true);
void get(Chain&, bool = true) const;
void swap(Chain&);
Protein* getProtein();
SecondaryStructure* getSecondaryStructure(int);
Residue* getResidue(int);
Residue* getNTerminal();
Residue* getCTerminal();
PDBAtom* getPDBAtom(int);
int countSecondaryStructures() const;
int countResidues() const;
int countPDBAtoms() const;
void prepend(SecondaryStructure& /Transfer/);
void append(SecondaryStructure& /Transfer/);
void insert(SecondaryStructure& /Transfer/);
void insertBefore(SecondaryStructure& /Transfer/, Composite&);
void insertAfter(SecondaryStructure& /Transfer/, Composite&);
bool remove(SecondaryStructure&);
void prepend(Residue& /Transfer/);
void append(Residue& /Transfer/);
void insert(Residue& /Transfer/);
void insertBefore(Residue& /Transfer/,Composite&);
void insertAfter(Residue& /Transfer/, Composite&);
bool remove(Residue&);
void spliceBefore(Chain&);
void spliceAfter(Chain&);
void splice(Chain&);
virtual bool isValid() const throw();
SIP_PYOBJECT __str__();
%MethodCode
sipRes = PyString_FromString(String(String("Chain ") + sipCpp->getName()
+ " { " + String(sipCpp->countResidues()) + " residues }").c_str());
%End
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
ResidueIterator iterresidues();
%MethodCode
return BALL_CONVERT_FROM_INSTANCE(new ResidueIterator(sipCpp->beginResidue()), ResidueIterator, Py_None);
%End
};
|