MolIntersection

Class for checking sphere intersections with atoms of the molecule template< class MoleculeT>

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Class Summary

class MolIntersection
{

public:

	// Constructors
	MolIntersection();
	MolIntersection(MoleculeT* mol, float probe_radius);
void	setMolecule(MoleculeT* mol) ;

	// neighbours related queries
bool	isNeighbours(unsigned int atom1, unsigned int atom2) const;

	// intersections queries
bool	isIntersectingSpheres(const Vector3& sphereCenter1, const Vector3& sphereCenter2, const float radius1, const float radius2) const;
bool	isIntersecting(const Vector3& probeCenter, unsigned int atomIndex) const;
bool	isIntersecting(const Vector3& probeCenter, unsigned int atomIndex1, unsigned int atomIndex2) const;
bool	isIntersecting(const Vector3& probeCenter, unsigned int atom1Index, unsigned int atom2Index, unsigned int atom3Index) const;
protected:

}; // MolIntersection

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KEYWORD

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AUTHORS

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CHANGES LOG

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GOALS

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USAGE

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MolIntersection();

  MolIntersection();

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MolIntersection(MoleculeT* mol, float probe_radius);

  MolIntersection(MoleculeT* mol, float probe_radius);

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void setMolecule(MoleculeT* mol) ;

  void setMolecule(MoleculeT* mol)                    
;

Function is currently defined inline.

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bool isNeighbours(unsigned int atom1, unsigned int atom2) const;

  bool isNeighbours(unsigned int atom1, unsigned int atom2) const;

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bool isIntersectingSpheres(const Vector3& sphereCenter1, const Vector3& sphereCenter2, const float radius1, const float radius2) const;

  bool isIntersectingSpheres(const Vector3& sphereCenter1, const Vector3& sphereCenter2,
			     const float radius1, const float radius2) const;

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bool isIntersecting(const Vector3& probeCenter, unsigned int atomIndex) const;

  bool isIntersecting(const Vector3& probeCenter, unsigned int atomIndex) const;

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bool isIntersecting(const Vector3& probeCenter, unsigned int atomIndex1, unsigned int atomIndex2) const;

  bool isIntersecting(const Vector3& probeCenter, unsigned int atomIndex1, unsigned int atomIndex2) const;

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bool isIntersecting(const Vector3& probeCenter, unsigned int atom1Index, unsigned int atom2Index, unsigned int atom3Index) const;

  bool isIntersecting(const Vector3& probeCenter,
		      unsigned int atom1Index, unsigned int atom2Index, unsigned int atom3Index) const;

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All Members

public:

	// Constructors
void	setMolecule(MoleculeT* mol) ;

	// neighbours related queries
bool	isNeighbours(unsigned int atom1, unsigned int atom2) const;

	// intersections queries
bool	isIntersectingSpheres(const Vector3& sphereCenter1, const Vector3& sphereCenter2, const float radius1, const float radius2) const;
bool	isIntersecting(const Vector3& probeCenter, unsigned int atomIndex) const;
bool	isIntersecting(const Vector3& probeCenter, unsigned int atomIndex1, unsigned int atomIndex2) const;
bool	isIntersecting(const Vector3& probeCenter, unsigned int atom1Index, unsigned int atom2Index, unsigned int atom3Index) const;
protected:

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Ancestors

Class does not inherit from any other class.

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Descendants

Class is not inherited by any others.

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Generated from source by the Cocoon utilities on Mon Dec 21 12:00:24 2009 .

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