From b7ec6cd29ab6a94112dcaa4325e2c452b1e023d2 Mon Sep 17 00:00:00 2001 From: =?utf8?q?=D0=93=D0=BE=D1=80=D0=B5=D0=BB=D0=BE=D0=B2=20=D0=A1=D0=B5?= =?utf8?q?=D1=80=D0=B3=D0=B5=D0=B9=20=D0=92=D0=B0=D1=81=D0=B8=D0=BB=D1=8C?= =?utf8?q?=D0=B5=D0=B2=D0=B8=D1=87?= Date: Mon, 3 Oct 2022 13:44:55 +0300 Subject: [PATCH] =?utf8?q?=D0=9F=D0=9F-=D1=85=D0=B5=D0=BB=D0=B8=D0=BA?= =?utf8?q?=D1=81=D1=8B=20=D0=BF=D1=80=D0=BE=D0=B2=D0=B5=D1=80=D0=B5=D0=BD?= =?utf8?q?=D1=8B.=20=D0=9F=D1=80=D0=BE=D0=B2=D0=B5=D1=80=D1=8F=D1=8E=20?= =?utf8?q?=D1=82=D0=B5=D0=BF=D0=B5=D1=80=D1=8C=20=D0=BE=D1=81=D1=82=D0=B0?= =?utf8?q?=D0=BB=D1=8C=D0=BD=D1=8B=D0=B5=20=D1=85=D0=B5=D0=BB=D0=B8=D0=BA?= =?utf8?q?=D1=81=D1=8B?= MIME-Version: 1.0 Content-Type: text/plain; charset=utf8 Content-Transfer-Encoding: 8bit --- src/dssptools.cpp | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/dssptools.cpp b/src/dssptools.cpp index 2e261ee..3520c6a 100644 --- a/src/dssptools.cpp +++ b/src/dssptools.cpp @@ -397,6 +397,7 @@ void secondaryStructures::analyzeTurnsAndHelicesPatterns(){ std::size_t stride {static_cast(i) + 3}; for(std::size_t j {0}; j + stride < SecondaryStructuresStatusMap.size(); ++j){ if ( hasHBondBetween(j + stride, j) && NoChainBreaksBetween(j, j + stride) ){ + std::cout << "Resi " << j << " is Helix_" << stride << "start" << std::endl; SecondaryStructuresStatusMap[j + stride].setStatus(HelixPositions::End, i); for (std::size_t k {1}; k < stride; ++k){ @@ -442,6 +443,7 @@ void secondaryStructures::analyzeTurnsAndHelicesPatterns(){ } if ( empty || Helix == secondaryStructureTypes::Helix_4 ){ for(std::size_t k {0}; k < stride; ++k ){ + std::cout << "Resi " << j << " is Helix_" << static_cast(Helix) << std::endl; SecondaryStructuresStatusMap[j + k].setStatus(Helix); } } @@ -461,6 +463,7 @@ void secondaryStructures::analyzeTurnsAndHelicesPatterns(){ } } if (isTurn){ + std::cout << "Resi " << i << " is Turn" << std::endl; SecondaryStructuresStatusMap[i].setStatus(secondaryStructureTypes::Turn); } } -- 2.22.0