RMSDClusterer

Class that clusters according to RMSD criteria. TransT is any class that extends RigidTrans3 NumTypeT is number type: int, float...

[ DockingLib | Source | Keywords | Summary | Ancestors | All Members | Descendants ]

Quick Index

Class Summary

class RMSDClusterer
{

public:
template < class ParticleT>	RMSDClusterer(const Molecule< ParticleT> mol, const float rmsdThr);
void	setRmsd(float rmsdThr) ;
template < class NumTypeT, class TransT> void	rmsdClustering(multimap< NumTypeT, TransT>& inTransforms, multimap< NumTypeT, TransT>& outTransforms, bool reverse);
protected:

}; // RMSDClusterer

Back to the top of RMSDClusterer

KEYWORD

Back to the top of RMSDClusterer

AUTHORS

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

Back to the top of RMSDClusterer

CHANGES LOG

Back to the top of RMSDClusterer

GOALS

Back to the top of RMSDClusterer

USAGE

Back to the top of RMSDClusterer

template < class ParticleT> RMSDClusterer(const Molecule< ParticleT> mol, const float rmsdThr);

  template < class ParticleT>
  RMSDClusterer(const Molecule< ParticleT> mol, const float rmsdThr);

Function is currently defined inline.

Back to the top of RMSDClusterer

void setRmsd(float rmsdThr) ;

  void setRmsd(float rmsdThr)                        
;

Function is currently defined inline.

Back to the top of RMSDClusterer

template < class NumTypeT, class TransT> void rmsdClustering(multimap< NumTypeT, TransT>& inTransforms, multimap< NumTypeT, TransT>& outTransforms, bool reverse);

Clustering of transformations. The first in the multimap is the score. The multimap is sorted from smallest to largest. If reverse = true, then the largest scoring transformation will be selected as a representative

  template < class NumTypeT, class TransT>
////
  void rmsdClustering(multimap< NumTypeT, TransT>& inTransforms,
		      multimap< NumTypeT, TransT>& outTransforms, bool reverse);

Back to the top of RMSDClusterer

All Members

public:
template < class ParticleT>	RMSDClusterer(const Molecule< ParticleT> mol, const float rmsdThr);
void	setRmsd(float rmsdThr) ;
template < class NumTypeT, class TransT> void	rmsdClustering(multimap< NumTypeT, TransT>& inTransforms, multimap< NumTypeT, TransT>& outTransforms, bool reverse);
protected:

Back to the top of RMSDClusterer

Ancestors

Class does not inherit from any other class.

Back to the top of RMSDClusterer

Descendants

Class is not inherited by any others.

Back to the top of RMSDClusterer

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

Report problems to jkotula@unimax.com