From f60920b579c26fc96acc09cff7cab8cf3dc33327 Mon Sep 17 00:00:00 2001 From: Anatoly Date: Wed, 21 Oct 2020 15:25:23 +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 8e7848f..88439a4 100644 --- a/src/colorvec.cpp +++ b/src/colorvec.cpp @@ -195,8 +195,8 @@ inline void betaListsRVecsEvaluation(const std::vector< gmx::RVec > &frame, cons bool isNearPeptide(const t_trxframe &fr, const t_pbc *pbc, const std::vector< gmx::RVec > &inputFrame, 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)); for (const auto &i : inputColor) { + gmx::AnalysisNeighborhoodSearch nbsearch = nbhood.initSearch(pbc, gmx::AnalysisNeighborhoodPositions(fr.x, fr.natoms)); gmx::AnalysisNeighborhoodPairSearch pairSearch = nbsearch.startPairSearch(inputFrame[i.second].as_vec()); gmx::AnalysisNeighborhoodPair pair; std::cout << std::endl << i.first << std::endl; -- 2.22.0