FastClusterer

This clustering technique is very coarse and therefore efficient in fast reduction of transformations number. FastClusterer first clusters transformations according to rotational parameters and after that applies RMSD clustering in each such cluster. TransT template should be like TransT in RMSDCluster class template < class TransT>

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Class Summary

class FastClusterer
{

public:
template< class ParticleT>	FastClusterer(const vector< ParticleT>& pointSet, float maxAngleDiff, int ignoreClustersSmaller, float rmsd) ;
void	paramClusterTransforms(const vector< TransT>& transVec, vector< TransT>& paramClusteredTrans);
void	paramClusterTransforms2(const vector< TransT>& transVec, vector< TransT>& paramClusteredTrans);
void	RMSDClusterTransforms(const vector< TransT>& transVec, vector< TransT>& RMSDClusteredTrans) ;
protected:

}; // FastClusterer

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KEYWORD

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AUTHORS

Dina (mailto: duhovka@post.tau.ac.il) Copyright: SAMBA group, Tel-Aviv Univ. Israel, 2004.

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CHANGES LOG

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GOALS

This clustering technique is very coarse and therefore efficient in fast reduction of transformations number. FastClusterer first clusters transformations according to rotational parameters and after that applies RMSD clustering in each such cluster.

TransT template should be like TransT in RMSDCluster class

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USAGE

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template< class ParticleT> FastClusterer(const vector< ParticleT>& pointSet, float maxAngleDiff, int ignoreClustersSmaller, float rmsd) ;

Constructor

  template< class ParticleT>
  FastClusterer(const vector< ParticleT>& pointSet, float maxAngleDiff, int ignoreClustersSmaller, float rmsd) ;

Function is currently defined inline.

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void paramClusterTransforms(const vector< TransT>& transVec, vector< TransT>& paramClusteredTrans);

fast clustering: rotational parameters + RMSD

  void paramClusterTransforms(const vector< TransT>& transVec, vector< TransT>& paramClusteredTrans);

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void paramClusterTransforms2(const vector< TransT>& transVec, vector< TransT>& paramClusteredTrans);

fast clustering: rotational&translational parameters

  void paramClusterTransforms2(const vector< TransT>& transVec, vector< TransT>& paramClusteredTrans);

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void RMSDClusterTransforms(const vector< TransT>& transVec, vector< TransT>& RMSDClusteredTrans) ;

RMSD clustering only

  void RMSDClusterTransforms(const vector< TransT>& transVec, vector< TransT>& RMSDClusteredTrans)                                                                                     
;

Function is currently defined inline.

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All Members

public:
template< class ParticleT>	FastClusterer(const vector< ParticleT>& pointSet, float maxAngleDiff, int ignoreClustersSmaller, float rmsd) ;
void	paramClusterTransforms(const vector< TransT>& transVec, vector< TransT>& paramClusteredTrans);
void	paramClusterTransforms2(const vector< TransT>& transVec, vector< TransT>& paramClusteredTrans);
void	RMSDClusterTransforms(const vector< TransT>& transVec, vector< TransT>& RMSDClusteredTrans) ;
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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