gmx::AnalysisNeighborhoodPairSearch pairSearch = nbsearch.startPairSearch(inputFrame[i.second].as_vec());
std::cout << std::endl << i.first << std::endl;
int count1 {0};
- bool flag = pairSearch.findNextPair(&pair);
- std::cout << flag << std::endl;
- while (flag) {
-
- std::cout << " " << ++count1;
+ while (pairSearch.findNextPair(&pair)) {
+ std::cout << " " << ++count1 << std::endl;
for (const auto &j : inputIndex) {
if (pair.refIndex() == j) {
return true;
}
}
- flag = pairSearch.findNextPair(&pair);
}
std::cout << " " << i.first;
}