- debug

[alexxy/gromacs-colorvec.git] / src / colorvec.cpp

diff --git a/src/colorvec.cpp b/src/colorvec.cpp
index 4fd8fac004ee46ae297a17c069e0064f551cfd46..612eb41abfa999b26af3d75bcb63a4692239ed31 100644 (file)
--- a/src/colorvec.cpp
+++ b/src/colorvec.cpp
@@ -201,17 +201,13 @@ bool isNearPeptide(const t_trxframe &fr, const t_pbc *pbc, const std::vector< gm
         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;
     }