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#include <iostream>
#include "isoSpec++.h"
#include <cassert>
using namespace IsoSpec;
#ifndef ISOSPEC_TESTS_SKIP_MAIN
size_t test_zero(double, bool);
int main(int argc, char** argv)
{
if(argc < 1) // yeah... never.
{
std::cout << "Proper usage (for example): " << argv[1] << std::endl;
std::cout << "...will hopefully throw an exception instead of segfaulting." << std::endl;
return -1;
}
size_t nc = test_zero(0.1, true);
std::cout << "No confs visited: " << nc << std::endl;
}
#endif /* ISOSPEC_TESTS_SKIP_MAIN */
size_t test_zero(double threshold, bool print_confs)
{
int dimNumber = 1;
int isoNumbers[] = { 3 };
int atomCounts[] = { 100 };
double isoMasses[] = { 1.0, 2.0, 3.0 };
double isoProbs[] = { 0.0, 0.4, 0.6 };
double* IM = { isoMasses };
double* IP = { isoProbs };
Iso ii(dimNumber, isoNumbers, atomCounts, &IM, &IP);
IsoThresholdGenerator i(std::move(ii), false, threshold);
size_t confs_no = i.count_confs();
if(print_confs)
std::cout << "No. confs is: " << confs_no << std::endl;
i.reset();
int* confspace = new int[i.getAllDim()];
int no_visited = 0;
[[maybe_unused]] double total_prob = 0.0;
while(i.advanceToNextConfiguration())
{
i.get_conf_signature(confspace);
if(print_confs)
std::cout << "lprob: " << i.lprob() << " prob: " << i.prob() << " log(prob): " << log(i.prob()) << " mass: " << i.mass() << " conf: ";
if(print_confs)
printArray<int>(confspace, i.getAllDim());
no_visited += 1;
total_prob += i.prob();
}
delete[] confspace;
return no_visited;
}
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