From: Max <Infinity2573@gmail.com>
Date: Sun, 25 Sep 2022 15:50:47 +0000 (+0300)
Subject: dasdsadsadsadsa
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=b00516af9c019da682c33f32258c6b0092eb5585;p=alexxy%2Fgromacs-dssp.git

dasdsadsadsadsa
---

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index cb19873..2a44d9f 100644
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -708,16 +708,19 @@ void DsspTool::calculateHBondEnergy(ResInfo& Donor,
                }
            }
        }
+
+       std::cout << "For Donor №" << Donor.info->nr - 1 << " and accpetor №" << Acceptor.info->nr - 1 << std::endl;
+
+       std::cout << "CA-CA distance: " << CalculateAtomicDistances(
+                        Donor.getIndex(backboneAtomTypes::AtomCA), Acceptor.getIndex(backboneAtomTypes::AtomCA), fr, pbc) << std::endl;
+       std::cout << "N-O distance: " << distanceNO << std::endl;
+       std::cout << "N-C distance: " << distanceNC << std::endl;
+       std::cout << "H-O distance: " << distanceHO << std::endl;
+       std::cout << "H-C distance: " << distanceHC << std::endl;
+
    }
 
-   std::cout << "For Donor №" << Donor.info->nr - 1 << " and accpetor №" << Acceptor.info->nr - 1 << std::endl;
 
-   std::cout << "CA-CA distance: " << CalculateAtomicDistances(
-                    Donor.getIndex(backboneAtomTypes::AtomCA), Acceptor.getIndex(backboneAtomTypes::AtomCA), fr, pbc) << std::endl;
-   std::cout << "N-O distance: " << distanceNO << std::endl;
-   std::cout << "N-C distance: " << distanceNC << std::endl;
-   std::cout << "H-O distance: " << distanceHO << std::endl;
-   std::cout << "H-C distance: " << distanceHC << std::endl;
    std::cout << "Calculated energy = " << HbondEnergy << std::endl;