1 #ifndef BALL_QSAR_REGISTRY_H 2 #define BALL_QSAR_REGISTRY_H 4 #ifndef MODEL_FACTORY_H 10 #ifdef BALL_HAS_LIBSVM 21 typedef Model* (*CreateKernel1) (
const QSARData& q,
int k,
double p1,
double p2);
46 const std::map<unsigned int,String>* getStatistics();
121 int getModelNo(
String model_name);
123 String getClassificationStatisticName(
unsigned int no);
124 String getRegressionStatisticName(
unsigned int no);
125 String getFeatureSelectionName(
unsigned int no);
126 String getValidationName(
unsigned int no);
127 const std::map<unsigned int,String>* getClassificationStatistics();
128 const std::map<unsigned int,String>* getRegressionStatistics();
131 RegistryEntryIterator beginEntry();
134 RegistryEntryIterator endEntry();
138 std::map<int,RegistryEntry> registered_models;
141 std::map<String,int> model_map;
143 std::map<unsigned int,String> classification_statistics;
144 std::map<unsigned int,String> regression_statistics;
145 std::map<unsigned int,String> feature_selection_names;
146 std::map<unsigned int,String> validation_names;
155 #endif // BALL_QSAR_REGISTRY_H
vector< String > parameterNames
CreateKernel2 createKernel2
Model *(* CreateKernel2)(const QSARData &q, String s1, String s2)
double default_kernel_par2
std::map< int, RegistryEntry >::iterator RegistryEntryIterator
std::multiset< int > optimizableParameters
vector< double > parameterDefaults
Model *(* CreateKernel1)(const QSARData &q, int k, double p1, double p2)
int default_no_permutations
CreateKernel1 createKernel1
double default_kernel_par1
double default_gridsearch_stepwidth
double default_gridsearch_par1_start
double default_gridsearch_par2_start
int default_gridsearch_steps
double default_correlation_cutoff
BALL_EXTERN_VARIABLE const double k
Model *(* CreateMethod)(const QSARData &q)
int default_gridsearch_recursion
int default_no_boostrap_samples
double default_valdition_fraction