BALL::QSAR::KPCRModel Member List

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

addLambda(Matrix< double > &matrix, double &lambda)	BALL::QSAR::Model	[protected]
backTransformPrediction(Vector< double > &pred)	BALL::QSAR::Model	[protected]
calculateOffsets()	BALL::QSAR::KernelModel	[protected, 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]
frac_var_	BALL::QSAR::KPCRModel	[private]
getDescriptorIDs()	BALL::QSAR::Model
getDescriptorMatrix()	BALL::QSAR::Model
getDescriptorNames()	BALL::QSAR::Model
getLatentVariables()	BALL::QSAR::LatentVariableModel
getLoadings()	BALL::QSAR::LatentVariableModel
getParameters() const	BALL::QSAR::KPCRModel	[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
getWeights()	BALL::QSAR::LatentVariableModel
getY()	BALL::QSAR::Model
K_	BALL::QSAR::KernelModel	[protected]
kernel	BALL::QSAR::KernelModel
KernelModel(const QSARData &q, int k_type, double p1, double p2)	BALL::QSAR::KernelModel
KernelModel(const QSARData &q, String f, String g)	BALL::QSAR::KernelModel
KernelModel(const QSARData &q, Vector< double > &w)	BALL::QSAR::KernelModel
KernelModel(const QSARData &q, const LinearModel &lm, int column)	BALL::QSAR::KernelModel
KPCRModel(const QSARData &q, int k_type, double p1, double p2=-1)	BALL::QSAR::KPCRModel
KPCRModel(const QSARData &q, Vector< double > &w)	BALL::QSAR::KPCRModel
KPCRModel(const QSARData &q, String s1, String s2)	BALL::QSAR::KPCRModel
KPCRModel(const QSARData &q, const LinearModel &lm, int column)	BALL::QSAR::KPCRModel
latent_variables_	BALL::QSAR::LatentVariableModel	[protected]
LatentVariableModel()	BALL::QSAR::LatentVariableModel
loadings_	BALL::QSAR::LatentVariableModel	[protected]
Model(const QSARData &q)	BALL::QSAR::Model
model_val	BALL::QSAR::Model
NonLinearModel(const QSARData &q)	BALL::QSAR::NonLinearModel
offsets_	BALL::QSAR::RegressionModel	[protected]
operator=(const Model &m)	BALL::QSAR::KernelModel	[virtual]
BALL::QSAR::NonLinearModel::operator=(const RegressionModel &m)	BALL::QSAR::RegressionModel	[virtual]
optimizeParameters(int, int)	BALL::QSAR::Model	[inline, virtual]
optimizeParameters(int k)	BALL::QSAR::Model
predict(const vector< double > &substance, bool transform)	BALL::QSAR::KernelModel	[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::KernelModel	[virtual]
readKernelParametersFromFile(std::ifstream &in)	BALL::QSAR::KernelModel	[protected]
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
readTrainingResult(std::ifstream &input, int no_substances, int no_y)	BALL::QSAR::KernelModel	[protected]
readVector(Vector< double > &vec, std::ifstream &in, uint no_cells, bool column_vector)	BALL::QSAR::Model	[protected]
RegressionModel(const QSARData &q)	BALL::QSAR::RegressionModel
BALL::RegressionValidation class	BALL::QSAR::KernelModel	[friend]
BALL::QSAR::LatentVariableModel::RegressionValidation class	BALL::QSAR::LatentVariableModel	[friend]
saveDescriptorInformationToFile(std::ofstream &out)	BALL::QSAR::RegressionModel	[protected, virtual]
saveKernelParametersToFile(std::ofstream &out)	BALL::QSAR::KernelModel	[protected]
saveModelParametersToFile(std::ofstream &out)	BALL::QSAR::Model	[protected]
saveResponseTransformationToFile(std::ofstream &out)	BALL::QSAR::Model	[protected]
saveToFile(string filename)	BALL::QSAR::KernelModel	[virtual]
saveTrainingResult(std::ofstream &out)	BALL::QSAR::KernelModel	[protected]
setDataSource(const QSARData *q)	BALL::QSAR::Model
setDescriptorIDs(const std::multiset< unsigned int > &sl)	BALL::QSAR::Model
setFracVar(double frac_var)	BALL::QSAR::KPCRModel
setParameters(vector< double > &v)	BALL::QSAR::KPCRModel	[virtual]
show()	BALL::QSAR::RegressionModel
substance_names_	BALL::QSAR::Model	[protected]
train()	BALL::QSAR::KPCRModel	[virtual]
training_result_	BALL::QSAR::RegressionModel	[protected]
type_	BALL::QSAR::Model	[protected]
validation	BALL::QSAR::RegressionModel
Validation class	BALL::QSAR::Model	[friend]
weights_	BALL::QSAR::LatentVariableModel	[protected]
Y_	BALL::QSAR::Model	[protected]
y_transformations_	BALL::QSAR::Model	[protected]
~KernelModel()	BALL::QSAR::KernelModel
~KPCRModel()	BALL::QSAR::KPCRModel
~Model()	BALL::QSAR::Model	[virtual]
~NonLinearModel()	BALL::QSAR::NonLinearModel
~RegressionModel()	BALL::QSAR::RegressionModel