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BALL::QSAR::SVMModel Member List

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

addLambda(Eigen::MatrixXd &matrix, double &lambda) | BALL::QSAR::Model | protected
backTransformPrediction(Eigen::VectorXd &pred) | BALL::QSAR::Model | protected
calculateStdErr() | BALL::QSAR::Model | inline virtual
ClassificationModel(const QSARData &q) | BALL::QSAR::ClassificationModel |
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
discretizeFeatures | BALL::QSAR::ClassificationModel | protected
discretizeTestDataFeatures | BALL::QSAR::ClassificationModel | protected
equalSpaceDiscretization(unsigned int bins, Eigen::MatrixXd &discretization_information) | BALL::QSAR::ClassificationModel | protected
equalSpaceDiscretizationTestData(Eigen::VectorXd &compound, unsigned int bins, const Eigen::MatrixXd &discretization_information) | BALL::QSAR::ClassificationModel | protected
getClassLabels() | BALL::QSAR::ClassificationModel |
getDescriptorIDs() | BALL::QSAR::Model |
getDescriptorMatrix() | BALL::QSAR::Model |
getDescriptorNames() | BALL::QSAR::Model |
getDescriptorTransformations() | 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 Eigen::VectorXd &substance, bool transform) | BALL::QSAR::Model | protected
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 |
labels_ | BALL::QSAR::ClassificationModel | protected
Model(const QSARData &q) | BALL::QSAR::Model |
model_val | BALL::QSAR::Model |
no_substances_ | BALL::QSAR::ClassificationModel | protected
operator=(ClassificationModel &m) | BALL::QSAR::ClassificationModel | 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
readClassInformationFromFile(std::ifstream &input, int no_classes) | BALL::QSAR::ClassificationModel | protected
readDescriptorInformation() | BALL::QSAR::Model | protected
readDescriptorInformationFromFile(std::ifstream &in, int no_descriptors, bool transformation) | BALL::QSAR::Model | protected virtual
readFromFile(string filename)=0 | BALL::QSAR::Model | pure virtual
readLabels() | BALL::QSAR::ClassificationModel | 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 |
readVector(Eigen::RowVectorXd &vec, std::ifstream &in, unsigned int no_cells, bool column_vector) | BALL::QSAR::Model | protected
saveClassInformationToFile(std::ofstream &out) | BALL::QSAR::ClassificationModel | protected
saveDescriptorInformationToFile(std::ofstream &out) | BALL::QSAR::Model | protected virtual
saveModelParametersToFile(std::ofstream &out) | BALL::QSAR::Model | protected
saveResponseTransformationToFile(std::ofstream &out) | BALL::QSAR::Model | protected
saveToFile(string filename)=0 | BALL::QSAR::Model | pure 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
substance_names_ | BALL::QSAR::Model | protected
SVMModel(const QSARData &q) | BALL::QSAR::SVMModel |
train()=0 | BALL::QSAR::Model | pure virtual
type_ | BALL::QSAR::Model | protected
validation | BALL::QSAR::ClassificationModel |
Y_ | BALL::QSAR::Model | protected
y_transformations_ | BALL::QSAR::Model | protected
~ClassificationModel() | BALL::QSAR::ClassificationModel |
~Model() | BALL::QSAR::Model | virtual
~SVMModel() | BALL::QSAR::SVMModel | virtual