From: Anatoly <Titov_AI@pnpi.nrcki.ru>
Date: Wed, 21 Oct 2020 14:54:45 +0000 (+0300)
Subject: - debug
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=e092d799083063fec2e0e29ee673a482ffbbc86e;p=alexxy%2Fgromacs-colorvec.git

- debug
---

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);
         }
     }