From 563bd579b3769db1bb311c8f2bad08cd1ee3bdb0 Mon Sep 17 00:00:00 2001 From: Anatoly Date: Wed, 21 Oct 2020 15:24:11 +0300 Subject: [PATCH] - debug --- src/colorvec.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/colorvec.cpp b/src/colorvec.cpp index 8ba04bb..8e7848f 100644 --- a/src/colorvec.cpp +++ b/src/colorvec.cpp @@ -196,9 +196,9 @@ bool isNearPeptide(const t_trxframe &fr, const t_pbc *pbc, const std::vector< gm gmx::AnalysisNeighborhood &nbhood, const std::vector< size_t > &inputIndex, const std::vector< std::pair< std::string, size_t > > &inputColor) { gmx::AnalysisNeighborhoodSearch nbsearch = nbhood.initSearch(pbc, gmx::AnalysisNeighborhoodPositions(fr.x, fr.natoms)); - gmx::AnalysisNeighborhoodPair pair; for (const auto &i : inputColor) { gmx::AnalysisNeighborhoodPairSearch pairSearch = nbsearch.startPairSearch(inputFrame[i.second].as_vec()); + gmx::AnalysisNeighborhoodPair pair; std::cout << std::endl << i.first << std::endl; int count1 {0}; while (pairSearch.findNextPair(&pair)) { -- 2.22.0