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class PDBAtom
: Atom
{
%TypeHeaderCode
#include <BALL/KERNEL/PDBAtom.h>
using AtomType = Atom::Type;
%End
public:
PDBAtom();
PDBAtom(const PDBAtom&, bool = true);
PDBAtom(Element&,
const String&,
const String&,
AtomType,
const Vector3&,
const Vector3&,
const Vector3&,
float,
float,
char,
char,
char,
float,
float);
~PDBAtom() throw();
virtual void clear() throw();
virtual void destroy() throw();
void set(const PDBAtom&, bool = true);
void get(PDBAtom&, bool = true) const;
void swap(PDBAtom&);
Protein* getProtein();
Chain* getChain();
Residue* getResidue();
void setBranchDesignator(char);
char getBranchDesignator() const;
void setRemotenessIndicator(char);
char getRemotenessIndicator() const;
void setAlternateLocationIndicator(char);
char getAlternateLocationIndicator() const;
void setOccupancy(float);
float getOccupancy() const;
void setTemperatureFactor(float);
float getTemperatureFactor() const;
virtual bool isValid() const throw();
SIP_PYOBJECT __str__();
%MethodCode
sipRes = PyString_FromString(String(String("PDBAtom ") + sipCpp->getName()
+ " { " + sipCpp->getElement().getSymbol() + " @ ("
+ String(sipCpp->getPosition().x) + " " + String(sipCpp->getPosition().y) + " "
+ String(sipCpp->getPosition().z) + " }").c_str());
%End
};
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