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#include <iostream>
#include "../../IsoSpec++/unity-build.cpp"
using std::cout;
int main()
{
int isotopeNumbers[] = {2, 3};
int atomCounts[] = {10, 10};
double isotopeMasses[] = {1.0, 2.0, 3.0, 4.0, 5.0};
double isotopeProbabilities[] = {0.5, 0.5, 0.5, 0.3, 0.2};
void* iso = setupIso(2, isotopeNumbers, atomCounts, isotopeMasses, isotopeProbabilities);
void* p = setupIsoOrderedGenerator(
iso,
1000,
1000);
while(advanceToNextConfigurationIsoOrderedGenerator(p))
{
cout << "mass="<< massIsoOrderedGenerator(p) << " lprob=" <<
lprobIsoOrderedGenerator(p) << std::endl;
}
deleteIsoOrderedGenerator(p);
deleteIso(iso);
return 0;
}
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