MultipleResultCluster

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const hash_map< int, int> *mapMolIDtoEntry_;

  static const hash_map< int, int> *mapMolIDtoEntry_;

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friend class JmolWriter;

  friend class JmolWriter;

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MultipleResultCluster() ;

  MultipleResultCluster() ;

Function is currently defined inline.

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void setMolecules(const vector< const FeaturedMolecule*>& molecules, const hash_map< int , int>& mapMolIDtoEntry) ;

  static void setMolecules(const vector< const FeaturedMolecule*>& molecules, const hash_map< int , int>& mapMolIDtoEntry)
                                                                             
;

Function is currently defined inline.

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MultipleResultCluster(const MultipleResult& mRes, FeatureStamp& stamp) ;

  MultipleResultCluster(const MultipleResult& mRes, FeatureStamp& stamp) ;

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class CompareMultipleResultsCluster ;

  class CompareMultipleResultsCluster {
   public:
    bool operator()(const MultipleResultCluster& p_a,const MultipleResultCluster& p_b)const{
      return (p_a.getScore() >  p_b.getScore());
    }
    bool operator()(const MultipleResultCluster* p_a,const MultipleResultCluster* p_b)const{
      return (p_a->getScore() >  p_b->getScore());
    }
  };

Function is currently defined inline.

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typedef multiset< MultipleResultCluster*, CompareMultipleResultsCluster> ClusterSet;

  typedef multiset< MultipleResultCluster*, CompareMultipleResultsCluster> ClusterSet;

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const FeatureStamp& getStamp() const ;

Group: inspectors //

  const FeatureStamp& getStamp() const                         
;

Function is currently defined inline.

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float getScore() const ;

  float getScore() const                                         
;

Function is currently defined inline.

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const MultipleResult& getRepresentorMultipleResult() const ;

  const MultipleResult& getRepresentorMultipleResult() const                              
;

Function is currently defined inline.

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int numOfMultiRes() const ;

  int numOfMultiRes() const                                    
;

Function is currently defined inline.

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int numOfSigMultiRes() const ;

  int numOfSigMultiRes() const                                       
;

Function is currently defined inline.

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unsigned int getNumOfPivots() const ;

  unsigned int getNumOfPivots() const                         
;

Function is currently defined inline.

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unsigned int getNumOfMolecules() const ;

  unsigned int getNumOfMolecules() const                            
;

Function is currently defined inline.

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int getPivotsBitSet() const ;

  int getPivotsBitSet() const                          
;

Function is currently defined inline.

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int getMoleculesBitSet() const ;

  int getMoleculesBitSet() const                             
;

Function is currently defined inline.

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const vector < const MultipleResult*>& allClustMultipleResults() const ;

  const vector < const MultipleResult*>& allClustMultipleResults() const                             
;

Function is currently defined inline.

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const vector < const MultipleResult*>& sigMultipleResults() const ;

  const vector < const MultipleResult*>& sigMultipleResults() const                                
;

Function is currently defined inline.

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void addMultipleResult(const MultipleResult& mRes, const RigidTrans3& trans);

  void addMultipleResult(const MultipleResult& mRes, const RigidTrans3& trans);

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bool addMolecule(const FeaturedMolecule *mol) ;

  bool addMolecule(const FeaturedMolecule *mol)                                                                                                               
;

Function is currently defined inline.

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bool addAndCount(int& bitset, unsigned int& counter, int index) ;

  bool addAndCount(int& bitset, unsigned int& counter, int index)                      ;

Function is currently defined inline.

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friend ostream& operator<<(ostream& s, const MultipleResultCluster& cluster);

  friend ostream& operator<<(ostream& s, const MultipleResultCluster& cluster);

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void clusterAll(const vector< MultipleResult>& multiResults, bool isSorted );

  static void clusterAll(const vector< MultipleResult>& multiResults, bool isSorted = false);

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MultipleResultCluster& clusterMultipleResult(const MultipleResult& mRes);

  static MultipleResultCluster& clusterMultipleResult(const MultipleResult& mRes);

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void setFeatureStamp(FeatureStamp& stamp, const MultipleResult& mRes);

  static void setFeatureStamp(FeatureStamp& stamp, const MultipleResult& mRes);

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const ClusterSet& getClusters() ;

  static const ClusterSet& getClusters()                         
;

Function is currently defined inline.

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void clear() ;

  static void clear()                                                                                 
;

Function is currently defined inline.

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void copyStamp(FeatureStamp toStamp, FeatureStamp fromStamp) ;

  static void copyStamp(FeatureStamp toStamp, FeatureStamp fromStamp)                                                       
;

Function is currently defined inline.

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MultipleResultCluster& createNewCluster(FeatureStamp& stamp, const MultipleResult& mRes);

  static MultipleResultCluster& createNewCluster(FeatureStamp& stamp, const MultipleResult& mRes);

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MARepresentor representor_;

  MARepresentor representor_;

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FeatureStamp featureStamp_;

  FeatureStamp featureStamp_;

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int moleculesBitSet_;

  int moleculesBitSet_;

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int pivotsBitSet_;

  int pivotsBitSet_; //unused

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vector < const MultipleResult*> multipleResults_;

  vector < const MultipleResult*> multipleResults_; // all multi results of the cluster

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vector < const MultipleResult*> sigMultipleResults_;

  vector < const MultipleResult*> sigMultipleResults_; // multi results that add new molecules

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vector < RigidTrans3> transformations_;

  vector < RigidTrans3> transformations_; // all transformations

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vector < RigidTrans3> sigMultipleResultsTrans_;

  vector < RigidTrans3> sigMultipleResultsTrans_; // transformations for sigMultipleResults_ only

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MultipleResult *bestRepresentor_;

  MultipleResult *bestRepresentor_; // = largest number of participating molecules

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unsigned int numOfMolecules_;

  unsigned int numOfMolecules_;

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unsigned int numOfPivots_;

  unsigned int numOfPivots_; // unused

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const vector< const FeaturedMolecule*> *molecules_;

  static const vector< const FeaturedMolecule*> *molecules_;

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ClusterSet allClusters_;

  static ClusterSet allClusters_;

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hash_map< const char*, vector< MultipleResultCluster*>, hash< const char*>, eqstr> stampMap_;

  static hash_map< const char*, vector< MultipleResultCluster*>, hash< const char*>, eqstr> stampMap_;

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