AtomGrid

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Class Summary

class AtomGrid
: public BaseGrid < vector < unsigned int> >
{
public:
template< class MoleculeT> AtomGrid(const MoleculeT& mol, float radius, const float inDelta, const float margins);
const vector< unsigned int>& getAtoms(const Vector3& point) const ;
unsigned int getAtomsNumber(const Vector3& point) const ;
protected:
template< class MoleculeT> void markAtoms(const MoleculeT& M, float radius);
}; // AtomGrid

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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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template< class MoleculeT> AtomGrid(const MoleculeT& mol, float radius, const float inDelta, const float margins);

thr + small, 0.5 epsilonthr 

  template< class MoleculeT>
    AtomGrid(const MoleculeT& mol, float radius, const float inDelta, const float margins);

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const vector< unsigned int>& getAtoms(const Vector3& point) const ;

  const vector< unsigned int>& getAtoms(const Vector3& point) const                                                                                                                                                                    
;

Function is currently defined inline.


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unsigned int getAtomsNumber(const Vector3& point) const ;

  unsigned int getAtomsNumber(const Vector3& point) const                                                                                                                           
;

Function is currently defined inline.


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template< class MoleculeT> void markAtoms(const MoleculeT& M, float radius);

  template< class MoleculeT>
    void markAtoms(const MoleculeT& M, float radius);

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All Members

public:
// Constructors
template< class MoleculeT> BaseGrid(const MoleculeT& mol, const float inDelta, const float maxRadius);
void clear();
int getIndexForPoint( const Vector3& point) const ;
Vector3 getPointForIndex(int index) const ;
bool isValidIndex(int index) const ;
int getIntGridRadius( float radius ) const ;
template< class MoleculeT> AtomGrid(const MoleculeT& mol, float radius, const float inDelta, const float margins);
const vector< unsigned int>& getAtoms(const Vector3& point) const ;
unsigned int getAtomsNumber(const Vector3& point) const ;
protected:
float delta ;
vector < int > neigbor;
vector < float > neigborDist;
vector < DataT > grid;
template< class MoleculeT> void markAtoms(const MoleculeT& M, float radius);

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Ancestors

Inheritance chain for AtomGrid:

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Descendants

Class is not inherited by any others.

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Generated from source by the Cocoon utilities on Tue Jan 5 18:47:29 2010 .

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