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BALL::ScoringOptimizer Member List

This is the complete list of members for BALL::ScoringOptimizer, including all inherited members.

addComplex(String name, String receptor_file, String ligand_file, double binding_free_energy) | BALL::ScoringOptimizer |
evaluate(double *correlation=0, double *R2=0, double *RMSE=0, Size *no_valid_complexes=0) | BALL::ScoringOptimizer |
getResult() | BALL::ScoringOptimizer |
printMatrix(std::ostream &out=std::cout) | BALL::ScoringOptimizer |
ScoringOptimizer(Options &options, bool train) | BALL::ScoringOptimizer |