PivotRMSDEvaluator

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Class Summary

class PivotRMSDEvaluator
{
public:
PivotRMSDEvaluator(const FeaturedMolecule* pivot, const vector< const FeaturedMolecule*>& nativeLigands);
const vector< MultipleResult>& getMultipleResults() const ;
const hash_map< int, PairwiseResult*>& getPairwiseResults() const ;
vector< float> pairwiseFeatureRMSDs(const MultipleResult& multipleResult);
float pairwiseFeatureRMSD(const PairwiseResult& pairwiseResult, int featuresBitset);
void evaluateMultipleResult(const MultipleResult& multipleResult, EvalData& evalData);
protected:
}; // PivotRMSDEvaluator

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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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PivotRMSDEvaluator(const FeaturedMolecule* pivot, const vector< const FeaturedMolecule*>& nativeLigands);

  PivotRMSDEvaluator(const FeaturedMolecule* pivot, const vector< const FeaturedMolecule*>& nativeLigands);

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const vector< MultipleResult>& getMultipleResults() const ;

  const vector< MultipleResult>& getMultipleResults() const                          
;

Function is currently defined inline.


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const hash_map< int, PairwiseResult*>& getPairwiseResults() const ;

  const hash_map< int, PairwiseResult*>& getPairwiseResults() const                                
;

Function is currently defined inline.


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vector< float> pairwiseFeatureRMSDs(const MultipleResult& multipleResult);

  vector< float> pairwiseFeatureRMSDs(const MultipleResult& multipleResult);

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float pairwiseFeatureRMSD(const PairwiseResult& pairwiseResult, int featuresBitset);

  float pairwiseFeatureRMSD(const PairwiseResult& pairwiseResult, int featuresBitset);

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void evaluateMultipleResult(const MultipleResult& multipleResult, EvalData& evalData);

  void evaluateMultipleResult(const MultipleResult& multipleResult, EvalData& evalData);

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All Members

public:
const vector< MultipleResult>& getMultipleResults() const ;
const hash_map< int, PairwiseResult*>& getPairwiseResults() const ;
vector< float> pairwiseFeatureRMSDs(const MultipleResult& multipleResult);
float pairwiseFeatureRMSD(const PairwiseResult& pairwiseResult, int featuresBitset);
void evaluateMultipleResult(const MultipleResult& multipleResult, EvalData& evalData);
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 11:44:46 2009 .

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