From e092d799083063fec2e0e29ee673a482ffbbc86e Mon Sep 17 00:00:00 2001 From: Anatoly Date: Wed, 21 Oct 2020 17:54:45 +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 4da5c5b..d746dd4 100644 --- a/src/colorvec.cpp +++ b/src/colorvec.cpp @@ -262,6 +262,7 @@ inline void searchNearBetaLists(const std::vector< gmx::RVec > &inputFrame, cons const std::vector< std::vector< size_t > > &inputAminoacids, const double cutOff) { outputList.resize(0); outputList.resize(inputBLists.size(), false); + std::cout << inputColor.size() << " " << inputBLists.size() << " " << inputAminoacids.size() << "\n"; for (size_t i {0}; i < inputColor.size(); ++i) { for (size_t j = 0; j < inputBLists.size(); ++j) { for (size_t k = 0; k < inputBLists[j].size(); ++k) { @@ -498,7 +499,6 @@ colorVec::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc, gmx::Trajecto betaListsRVecsEvaluation(trajectoryFrame, betaLists[frnr], betaListsRVecs, indexCA); for (size_t i = 0; i < colorsToPeptide.size(); ++i) { if (colorsToPeptide[i]) { - std::cout << "searching for beta-lists\n"; searchNearBetaLists(trajectoryFrame, betaLists[frnr], colorsNames[i], colorsToBeta[i], aminoacidsIndex, effRad * 9000); } } -- 2.22.0