21 #ifndef BALL_QSAR_REGISTRY_H
22 #define BALL_QSAR_REGISTRY_H
24 #ifndef MODEL_FACTORY_H
30 #ifdef BALL_HAS_LIBSVM
41 typedef Model* (*CreateKernel1) (
const QSARData& q,
int k,
double p1,
double p2);
66 const std::map<unsigned int,String>* getStatistics();
141 int getModelNo(
String model_name);
143 String getClassificationStatisticName(
unsigned int no);
144 String getRegressionStatisticName(
unsigned int no);
145 String getFeatureSelectionName(
unsigned int no);
146 String getValidationName(
unsigned int no);
147 const std::map<unsigned int,String>* getClassificationStatistics();
148 const std::map<unsigned int,String>* getRegressionStatistics();
158 std::map<int,RegistryEntry> registered_models;
161 std::map<String,int> model_map;
163 std::map<unsigned int,String> classification_statistics;
164 std::map<unsigned int,String> regression_statistics;
165 std::map<unsigned int,String> feature_selection_names;
166 std::map<unsigned int,String> validation_names;
175 #endif // BALL_QSAR_REGISTRY_H
Model *(* CreateMethod)(const QSARData &q)
int default_no_permutations
double default_gridsearch_par1_start
int default_gridsearch_recursion
double default_kernel_par2
Model *(* CreateKernel2)(const QSARData &q, String s1, String s2)
CreateKernel1 createKernel1
vector< String > parameterNames
double default_kernel_par1
int default_gridsearch_steps
vector< double > parameterDefaults
std::multiset< int > optimizableParameters
BALL_EXTERN_VARIABLE const double k
double default_valdition_fraction
CreateKernel2 createKernel2
Model *(* CreateKernel1)(const QSARData &q, int k, double p1, double p2)
double default_gridsearch_stepwidth
std::map< int, RegistryEntry >::iterator RegistryEntryIterator
double default_gridsearch_par2_start
int default_no_boostrap_samples
double default_correlation_cutoff