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BALL::QSAR::GPModel Member List

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

addLambda(Eigen::MatrixXd &matrix, double &lambda) | BALL::QSAR::Model | protected
backTransformPrediction(Eigen::VectorXd &pred) | BALL::QSAR::Model | protected
calculateOffsets() | BALL::QSAR::KernelModel | protected virtual
calculateStdErr() | BALL::QSAR::GPModel | virtual
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 |
getDescriptorTransformations() | BALL::QSAR::Model |
getParameters() const | BALL::QSAR::GPModel | virtual
getSubstanceNames() | BALL::QSAR::Model |
getSubstanceVector(const vector< double > &substance, bool transform) | BALL::QSAR::Model | protected
getSubstanceVector(const Eigen::VectorXd &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 |
getYTransformations() | BALL::QSAR::Model |
GPModel(const QSARData &q, int k_type, double p1, double p2=-1) | BALL::QSAR::GPModel |
GPModel(const QSARData &q, Eigen::VectorXd &w) | BALL::QSAR::GPModel |
GPModel(const QSARData &q, String s1, String s2) | BALL::QSAR::GPModel |
GPModel(const QSARData &q, const LinearModel &lm, int column) | BALL::QSAR::GPModel |
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, Eigen::VectorXd &w) | BALL::QSAR::KernelModel |
KernelModel(const QSARData &q, const LinearModel &lm, int column) | BALL::QSAR::KernelModel |
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=1) | BALL::QSAR::GPModel | 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(Eigen::MatrixXd &mat, std::ifstream &in, unsigned int lines, unsigned int 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(Eigen::RowVectorXd &vec, std::ifstream &in, unsigned int no_cells, bool column_vector) | BALL::QSAR::Model | protected
RegressionModel(const QSARData &q) | BALL::QSAR::RegressionModel |
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 |
setParameters(vector< double > &v) | BALL::QSAR::GPModel | virtual
show() | BALL::QSAR::RegressionModel |
substance_names_ | BALL::QSAR::Model | protected
train() | BALL::QSAR::GPModel | virtual
training_result_ | BALL::QSAR::RegressionModel | protected
type_ | BALL::QSAR::Model | protected
validation | BALL::QSAR::RegressionModel |
Y_ | BALL::QSAR::Model | protected
y_transformations_ | BALL::QSAR::Model | protected
~GPModel() | BALL::QSAR::GPModel |
~KernelModel() | BALL::QSAR::KernelModel |
~Model() | BALL::QSAR::Model | virtual
~NonLinearModel() | BALL::QSAR::NonLinearModel |
~RegressionModel() | BALL::QSAR::RegressionModel |