Assembly

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Class Summary

class Assembly
{

public:
	Assembly(const FeaturedMolecule& pivotMolecule, const vector< const FeaturedMolecule*>& ligands, const VoteTable& votes, vector< vector< PairwiseResult> >& results, bool justForBest ) ;
void	performAssembly(unsigned int molID, unsigned int resNum);
vector< vector< PairwiseResult> >&	getResults() ;
protected:
void	clearGraph(vector< BPNode*>& orderedBPNodes);
void	buildAssemblyGraph2(unsigned int lig, unsigned int resultsNum);
void	removeRedundantResults(unsigned int molID);
const FeaturedMolecule&	pivotMolecule_;
const vector< const FeaturedMolecule*>&	ligands_;
const VoteTable&	votes_;
vector< vector< BPNode*> >	bpGraphs_;
vector< vector< PairwiseResult> >&	results_;
bool	justForBest_;

}; // Assembly

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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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Assembly(const FeaturedMolecule& pivotMolecule, const vector< const FeaturedMolecule*>& ligands, const VoteTable& votes, vector< vector< PairwiseResult> >& results, bool justForBest ) ;

Constructor

  Assembly(const FeaturedMolecule& pivotMolecule, const vector< const FeaturedMolecule*>& ligands, const VoteTable& votes, vector< vector< PairwiseResult> >& results, bool justForBest = false) ;

Function is currently defined inline.

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void performAssembly(unsigned int molID, unsigned int resNum);

Performs the Assembly algorithm for each ligand molecule, return resNum best results

  void performAssembly(unsigned int molID, unsigned int resNum);

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vector< vector< PairwiseResult> >& getResults() ;

return results

  vector< vector< PairwiseResult> >& getResults()                     
;

Function is currently defined inline.

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void clearGraph(vector< BPNode*>& orderedBPNodes);

  void clearGraph(vector< BPNode*>& orderedBPNodes);

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void buildAssemblyGraph2(unsigned int lig, unsigned int resultsNum);

builds a graph and calls "bestKtrees"

  void buildAssemblyGraph2(unsigned int lig, unsigned int resultsNum);

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void removeRedundantResults(unsigned int molID);

  void removeRedundantResults(unsigned int molID);

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const FeaturedMolecule& pivotMolecule_;

  const FeaturedMolecule& pivotMolecule_;

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const vector< const FeaturedMolecule*>& ligands_;

  const vector< const FeaturedMolecule*>& ligands_;

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const VoteTable& votes_;

  const VoteTable& votes_;

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vector< vector< BPNode*> > bpGraphs_;

  vector< vector< BPNode*> > bpGraphs_;

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vector< vector< PairwiseResult> >& results_;

Keep the best results for each ligand

  vector< vector< PairwiseResult> >& results_;

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bool justForBest_;

  bool justForBest_;

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All Members

public:
void	performAssembly(unsigned int molID, unsigned int resNum);
vector< vector< PairwiseResult> >&	getResults() ;
protected:
void	clearGraph(vector< BPNode*>& orderedBPNodes);
void	buildAssemblyGraph2(unsigned int lig, unsigned int resultsNum);
void	removeRedundantResults(unsigned int molID);
const FeaturedMolecule&	pivotMolecule_;
const vector< const FeaturedMolecule*>&	ligands_;
const VoteTable&	votes_;
vector< vector< BPNode*> >	bpGraphs_;
vector< vector< PairwiseResult> >&	results_;
bool	justForBest_;

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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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