BALL::QSAR::RegressionModel Member List

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

addLambda(Matrix< double > &matrix, double &lambda)	BALL::QSAR::Model	[protected]
backTransformPrediction(Vector< double > &pred)	BALL::QSAR::Model	[protected]
calculateOffsets()=0	BALL::QSAR::RegressionModel	[protected, pure virtual]
calculateStdErr()	BALL::QSAR::Model	[inline, virtual]
ClassificationValidation class	BALL::QSAR::Model	[friend]
copyData(const Model &m)	BALL::QSAR::Model
copyDescriptorIDs(const Model &m)	BALL::QSAR::Model
data	BALL::QSAR::Model
default_no_opt_steps_	BALL::QSAR::Model	[protected]
deleteDescriptorIDs()	BALL::QSAR::Model
descriptor_IDs_	BALL::QSAR::Model	[protected]
descriptor_matrix_	BALL::QSAR::Model	[protected]
descriptor_names_	BALL::QSAR::Model	[protected]
descriptor_transformations_	BALL::QSAR::Model	[protected]
getDescriptorIDs()	BALL::QSAR::Model
getDescriptorMatrix()	BALL::QSAR::Model
getDescriptorNames()	BALL::QSAR::Model
getParameters() const	BALL::QSAR::Model	[virtual]
getSubstanceNames()	BALL::QSAR::Model
getSubstanceVector(const vector< double > &substance, bool transform)	BALL::QSAR::Model	[protected]
getSubstanceVector(const Vector< double > &substance, bool transform)	BALL::QSAR::Model	[protected]
getTrainingResult() const	BALL::QSAR::RegressionModel
getType()	BALL::QSAR::Model
getUnnormalizedFeatureValue(int compound, int feature, double &return_value)	BALL::QSAR::Model
getUnnormalizedResponseValue(int compound, int response, double &return_value)	BALL::QSAR::Model
getY()	BALL::QSAR::Model
Model(const QSARData &q)	BALL::QSAR::Model
model_val	BALL::QSAR::Model
offsets_	BALL::QSAR::RegressionModel	[protected]
operator=(const RegressionModel &m)	BALL::QSAR::RegressionModel	[virtual]
BALL::QSAR::Model::operator=(const Model &m)	BALL::QSAR::Model	[virtual]
optimizeParameters(int, int)	BALL::QSAR::Model	[inline, virtual]
optimizeParameters(int k)	BALL::QSAR::Model
predict(const vector< double > &substance, bool transform)=0	BALL::QSAR::Model	[pure virtual]
readDescriptorInformation()	BALL::QSAR::Model	[protected]
readDescriptorInformationFromFile(std::ifstream &in, int no_descriptors, bool transformation, int no_coefficients)	BALL::QSAR::RegressionModel	[protected]
BALL::QSAR::Model::readDescriptorInformationFromFile(std::ifstream &in, int no_descriptors, bool transformation)	BALL::QSAR::Model	[protected, virtual]
readFromFile(string filename)	BALL::QSAR::RegressionModel	[virtual]
readMatrix(Matrix< double > &mat, std::ifstream &in, uint lines, uint col)	BALL::QSAR::Model	[protected]
readModelParametersFromFile(std::ifstream &in)	BALL::QSAR::Model	[protected]
readResponseTransformationFromFile(std::ifstream &in, int no_y)	BALL::QSAR::Model	[protected]
readTrainingData()	BALL::QSAR::Model
readVector(Vector< double > &vec, std::ifstream &in, uint no_cells, bool column_vector)	BALL::QSAR::Model	[protected]
RegressionModel(const QSARData &q)	BALL::QSAR::RegressionModel
RegressionValidation class	BALL::QSAR::RegressionModel	[friend]
saveDescriptorInformationToFile(std::ofstream &out)	BALL::QSAR::RegressionModel	[protected, virtual]
saveModelParametersToFile(std::ofstream &out)	BALL::QSAR::Model	[protected]
saveResponseTransformationToFile(std::ofstream &out)	BALL::QSAR::Model	[protected]
saveToFile(string filename)	BALL::QSAR::RegressionModel	[virtual]
setDataSource(const QSARData *q)	BALL::QSAR::Model
setDescriptorIDs(const std::multiset< unsigned int > &sl)	BALL::QSAR::Model
setParameters(vector< double > &)	BALL::QSAR::Model	[inline, virtual]
show()	BALL::QSAR::RegressionModel
substance_names_	BALL::QSAR::Model	[protected]
train()=0	BALL::QSAR::Model	[pure virtual]
training_result_	BALL::QSAR::RegressionModel	[protected]
type_	BALL::QSAR::Model	[protected]
Validation class	BALL::QSAR::Model	[friend]
validation	BALL::QSAR::RegressionModel
Y_	BALL::QSAR::Model	[protected]
y_transformations_	BALL::QSAR::Model	[protected]
~Model()	BALL::QSAR::Model	[virtual]
~RegressionModel()	BALL::QSAR::RegressionModel