From: Max <Infinity2573@gmail.com>
Date: Mon, 19 Sep 2022 23:17:23 +0000 (+0300)
Subject: sadsad
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=20fb92b2d1eb13b67a6225dbc5ef875dd51018d5;p=alexxy%2Fgromacs-dssp.git

sadsad
---

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 63feac4..348e17f 100644
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -724,9 +724,7 @@ float DsspTool::CalculateAtomicDistances(const int &A, const int &B, const t_trx
 {
    gmx::RVec r{ 0, 0, 0 };
    pbc_dx(pbc, fr.x[A], fr.x[B], r.as_vec());
-//   return r.norm(); // TODO * gmx::c_nm2A; if not PDB, i guess????
-   return r.norm() * 10; // TODO * gmx::c_nm2A; if not PDB, i guess????
-   return r.norm() * gmx::c_nm2A; // TODO * gmx::c_nm2A; if not PDB, i guess????
+   return r.norm() * gmx::c_nm2A * 10;
 }
 
 /* Calculate Distance From B to A, where A is only fake coordinates */
@@ -734,9 +732,7 @@ float DsspTool::CalculateAtomicDistances(const rvec &A, const int &B, const t_tr
 {
    gmx::RVec r{ 0, 0, 0 };
    pbc_dx(pbc, A, fr.x[B], r.as_vec());
-//   return r.norm(); // TODO * gmx::c_nm2A; if not PDB, i guess????
-   return r.norm() * 10; // TODO * gmx::c_nm2A; if not PDB, i guess????
-   return r.norm() * gmx::c_nm2A; // TODO * gmx::c_nm2A; if not PDB, i guess????
+   return r.norm() * gmx::c_nm2A * 10;
 }
 
 void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const TopologyInformation& top, const initParameters &initParamz)