From a36dd786be052262544bfeb190fe08149064489d Mon Sep 17 00:00:00 2001 From: Anatoly Date: Wed, 21 Oct 2020 15:11:04 +0300 Subject: [PATCH] - debug --- src/colorvec.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/src/colorvec.cpp b/src/colorvec.cpp index 459a668..5cb955a 100644 --- a/src/colorvec.cpp +++ b/src/colorvec.cpp @@ -196,6 +196,7 @@ bool isNearPeptide(const t_trxframe &fr, const t_pbc *pbc, const std::vector< gm gmx::AnalysisNeighborhoodSearch nbsearch = nbhood.initSearch(pbc, gmx::AnalysisNeighborhoodPositions(fr.x, fr.natoms)); gmx::AnalysisNeighborhoodPair pair; for (const auto &i : inputColor) { + std::cout << i.first << std::endl; gmx::AnalysisNeighborhoodPairSearch pairSearch = nbsearch.startPairSearch(inputFrame[i.second].as_vec()); while (pairSearch.findNextPair(&pair)) { for (const auto &j : inputIndex) { -- 2.22.0