1#ifndef BALL_QSAR_REGISTRY_H
2#define BALL_QSAR_REGISTRY_H
21 typedef Model* (*CreateKernel1) (
const QSARData& q,
int k,
double p1,
double p2);
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;
BALL_EXTERN_VARIABLE const double k
std::map< int, RegistryEntry >::iterator RegistryEntryIterator
Model *(* CreateKernel1)(const QSARData &q, int k, double p1, double p2)
Model *(* CreateKernel2)(const QSARData &q, String s1, String s2)
Model *(* CreateMethod)(const QSARData &q)
vector< double > parameterDefaults
RegistryEntry(bool k, bool r, String n, String ab, CreateMethod c0)
vector< String > parameterNames
const std::map< unsigned int, String > * getStatistics()
std::multiset< int > optimizableParameters
RegistryEntry(bool k, bool r, String n, String ab, CreateKernel1 c1, CreateKernel2 c2)
CreateKernel1 createKernel1
RegistryEntry(const RegistryEntry &entry)
CreateKernel2 createKernel2
String getStatName(int s)
double default_kernel_par1
double default_gridsearch_stepwidth
RegistryEntryIterator beginEntry()
double default_correlation_cutoff
int getModelNo(String model_name)
String getClassificationStatisticName(unsigned int no)
RegistryEntry * getEntry(String model_name)
RegistryEntryIterator endEntry()
String getFeatureSelectionName(unsigned int no)
double default_gridsearch_par2_start
int default_gridsearch_recursion
int default_gridsearch_steps
String getRegressionStatisticName(unsigned int no)
RegistryEntry * getEntry(int ID)
String getValidationName(unsigned int no)
const std::map< unsigned int, String > * getClassificationStatistics()
double default_valdition_fraction
int default_no_permutations
double default_gridsearch_par1_start
int default_no_boostrap_samples
const std::map< unsigned int, String > * getRegressionStatistics()
double default_kernel_par2
void addEntry(RegistryEntry entry, int uniqueID)