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#include <fstream>
#include <BALL/QSAR/registry.h>
#include <BALL/QSAR/featureSelection.h>
#include <BALL/QSAR/configIO.h>
using namespace BALL::QSAR;
using namespace BALL;
void startInputPartitioning(std::ifstream& in, QSARData* q, String* data_filename)
{
InputPartitioningConfiguration conf = ConfigIO::readInputPartitioningConfiguration(&in);
if(conf.done) return; // stop processing this section
bool created_data_object=0;
if(q==NULL || data_filename==NULL || conf.input_file!=*data_filename)
{
if(q==NULL)
{
q = new QSARData;
created_data_object=1;
}
q->readFromFile(conf.input_file);
if(data_filename) *data_filename = conf.input_file;
}
// -- create prefix for output-files ---
String output_prefix = conf.input_file;
int index = output_prefix.find_first_of(".");
if(index!=(int)string::npos)
{
output_prefix=output_prefix.substr(0,index);
}
if(conf.ID>0)
{
output_prefix+="_"+String(conf.ID);
}
// -----------
for(int i=0; i<conf.no_folds; i++)
{
vector<QSARData*> sets = q->generateExternalSet(conf.validation_fraction); // length==2
if(q->isDataCentered())
{
bool center_y = q->isResponseCentered();
sets[0]->centerData(center_y); // train-partition
sets[1]->centerData(center_y); // test-partition
}
String train_name = output_prefix+"_TRAIN"+String(i)+".dat";
String test_name = output_prefix+"_TEST"+String(i)+".dat";
sets[0]->saveToFile(train_name);
sets[1]->saveToFile(test_name);
}
if(created_data_object) delete q;
}
#ifndef EXT_MAIN
int main(int argc, char* argv[])
{
if(argc<2)
{
cout<<"Please specify configuration file!"<<endl;
return 0;
}
ifstream in(argv[1]);
if(!in)
{
cout<<"Configuration file '"<<argv[1]<<"' not found!"<<endl;
return 0;
}
String line;
for(int i=0;!in.eof();i++) // read ALL InputReader section
{
for(int j=0;!in.eof();j++) // skip everthing until the beginning of the next InputReader-section
{
getline(in,line);
if(!line.hasPrefix("[InputPartitioner]")) continue;
else break;
}
if(!line.hasPrefix("[InputPartitioner]")) break; // there are no (more) input-sections!
ConfigIO::putbackLine(&in,line);
startInputPartitioning(in,NULL,NULL);
}
}
#endif
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