From: Горелов Сергей Васильевич <gorelov_sv@pnpi.nrcki.ru>
Date: Mon, 3 Oct 2022 09:46:30 +0000 (+0300)
Subject: Продолжнаю выяснять причину расхождение через coutы
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=65520549dee1ee531b728afecc59f6607325808c;p=alexxy%2Fgromacs-dssp.git

Продолжнаю выяснять причину расхождение через coutы
---

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 77b7e32..301624b 100644
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -766,6 +766,13 @@ float DsspTool::CalculateDihedralAngle(const int &A, const int &B, const int &C,
         y[i] = (vBD[j] * x[k]) - (vBD[k] * x[j]);
     }
 
+    std::cout << "v12 = " << vBA[0] << ", " << vBA[1] << ", " << vBA[2] << std::endl;
+    std::cout << "v43 = " << vDC[0] << ", " << vDC[1] << ", " << vDC[2] << std::endl;
+    std::cout << "z = " << vBD[0] << ", " << vBD[1] << ", " << vBD[2] << std::endl;
+    std::cout << "p = " << p[0] << ", " << p[1] << ", " << p[2] << std::endl;
+    std::cout << "x = " << x[0] << ", " << x[1] << ", " << x[2] << std::endl;
+    std::cout << "y = " << y[0] << ", " << y[1] << ", " << y[2] << std::endl;
+
     u = (x[XX] * x[XX]) + (x[YY] * x[YY]) + (x[ZZ] * x[ZZ]);
     v = (y[XX] * y[XX]) + (y[YY] * y[YY]) + (y[ZZ] * y[ZZ]);