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#include <iostream>
#include <string>
#include <cassert>
#include "../../IsoSpec++/unity-build.cpp"
int main()
{
std::string formula = "C100";
int tabSize = 1000;
int hashSize = 1000;
double threshold = 0.01;
bool absolute = false;
threshold = 1e-2;
{
Iso* iso = new Iso(formula.c_str());
IsoThresholdGenerator* generator = new IsoThresholdGenerator(std::move(*iso), threshold, absolute, tabSize, hashSize);
Tabulator<IsoThresholdGenerator>* tabulator = new Tabulator<IsoThresholdGenerator>(generator, true, true, false, true);
int64_t size = tabulator->confs_no();
std::cout << size << std::endl;
delete iso;
delete generator;
delete tabulator;
}
threshold = 1e-200;
{
Iso* iso = new Iso(formula.c_str());
IsoThresholdGenerator* generator = new IsoThresholdGenerator(std::move(*iso), threshold, absolute, tabSize, hashSize);
Tabulator<IsoThresholdGenerator>* tabulator = new Tabulator<IsoThresholdGenerator>(generator, true, true, false, true);
int64_t size = tabulator->confs_no();
std::cout << size << std::endl;
delete iso;
delete generator;
delete tabulator;
}
formula = "C520H817N139O147S8";
threshold = 1e-10;
{
Iso* iso = new Iso(formula.c_str());
IsoThresholdGenerator* generator = new IsoThresholdGenerator(std::move(*iso), threshold, absolute, tabSize, hashSize);
Tabulator<IsoThresholdGenerator>* tabulator = new Tabulator<IsoThresholdGenerator>(generator, true, true, false, true);
int64_t size = tabulator->confs_no();
std::cout << size << std::endl;
delete iso;
delete generator;
delete tabulator;
}
threshold = 1e-50;
{
Iso* iso = new Iso(formula.c_str());
IsoThresholdGenerator* generator = new IsoThresholdGenerator(std::move(*iso), threshold, absolute, tabSize, hashSize);
Tabulator<IsoThresholdGenerator>* tabulator = new Tabulator<IsoThresholdGenerator>(generator, true, true, false, true);
int64_t size = tabulator->confs_no();
std::cout << size << std::endl;
delete iso;
delete generator;
delete tabulator;
}
threshold = 1e-100;
{
Iso* iso = new Iso(formula.c_str());
IsoThresholdGenerator* generator = new IsoThresholdGenerator(std::move(*iso), threshold, absolute, tabSize, hashSize);
Tabulator<IsoThresholdGenerator>* tabulator = new Tabulator<IsoThresholdGenerator>(generator, true, true, false, true);
int64_t size = tabulator->confs_no();
std::cout << size << std::endl;
delete iso;
delete generator;
delete tabulator;
}
#if 0
threshold = 1e-200;
{
Iso* iso = new Iso(formula.c_str());
IsoThresholdGenerator* generator = new IsoThresholdGenerator(std::move(*iso), threshold, absolute, tabSize, hashSize);
Tabulator<IsoThresholdGenerator>* tabulator = new Tabulator<IsoThresholdGenerator>(generator, true, true, false, true);
int64_t size = tabulator->confs_no();
std::cout << size << std::endl;
delete iso;
delete generator;
delete tabulator;
}
threshold = 1e-300;
{
Iso* iso = new Iso(formula.c_str());
IsoThresholdGenerator* generator = new IsoThresholdGenerator(std::move(*iso), threshold, absolute, tabSize, hashSize);
Tabulator<IsoThresholdGenerator>* tabulator = new Tabulator<IsoThresholdGenerator>(generator, true, true, false, true);
int64_t size = tabulator->confs_no();
std::cout << size << std::endl;
delete iso;
delete generator;
delete tabulator;
}
#endif
}
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