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class BoundingBoxProcessor
: ConstAtomProcessor
{
%TypeHeaderCode
#include <BALL/PYTHON/EXTENSIONS/pyUnaryProcessors.h>
#include <BALL/STRUCTURE/geometricProperties.h>
%End
public:
virtual bool start() throw();
virtual bool finish() throw();
Processor::Result operator()(Atom&) throw();
%MethodCode
sipRes = sipCpp->operator () (*a0);
%End
SimpleBox3 getBox() const;
const Vector3& getLower() const;
const Vector3& getUpper() const;
};
class GeometricCenterProcessor
: ConstAtomProcessor
{
%TypeHeaderCode
#include <BALL/PYTHON/EXTENSIONS/pyUnaryProcessors.h>
#include <BALL/STRUCTURE/geometricProperties.h>
%End
public:
virtual bool start() throw();
virtual bool finish() throw();
Processor::Result operator()(Atom&) throw();
%MethodCode
sipRes = sipCpp->operator () (*a0);
%End
Vector3& getCenter();
};
class FragmentDistanceCollector
: ConstCompositeProcessor
{
%TypeHeaderCode
#include <BALL/PYTHON/EXTENSIONS/pyUnaryProcessors.h>
#include <BALL/STRUCTURE/geometricProperties.h>
%End
public:
FragmentDistanceCollector();
FragmentDistanceCollector(const Composite&);
FragmentDistanceCollector(const Composite&, float);
~FragmentDistanceCollector() throw();
virtual bool start() throw();
virtual bool finish() throw();
Processor::Result operator()(Composite&) throw();
%MethodCode
sipRes = sipCpp->operator () (*a0);
%End
Size getNumberOfFragments();
void setComposite(const Composite&);
const Composite* getComposite() const;
float getDistance() const;
void setDistance(float);
};
%ModuleCode
#include <BALL/STRUCTURE/geometricProperties.h>
%End
Angle calculateTorsionAngle(const Atom&, const Atom&, const Atom&, const Atom&);
Angle setTorsionAngle(const Atom&, const Atom&, Atom&, const Atom&, Angle a);
Angle calculateBondAngle(const Atom&, const Atom&, const Atom&);
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