From 0356d1b90e188d109ef5c8e5372632d68308175d Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 15 Feb 2024 11:49:30 +0100
Subject: [PATCH] CreateBU: Set bond order when connecting atoms
---
modules/mol/alg/src/biounit.cc | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/modules/mol/alg/src/biounit.cc b/modules/mol/alg/src/biounit.cc
index e5fd1644f..72e2cc970 100644
--- a/modules/mol/alg/src/biounit.cc
+++ b/modules/mol/alg/src/biounit.cc
@@ -344,7 +344,8 @@ ost::mol::EntityHandle CreateBU(const ost::mol::EntityHandle& asu,
// connect
for(auto it = bond_list.begin(); it != bond_list.end(); ++it) {
ed.Connect(atom_mapper[it->GetFirst().GetHashCode()],
- atom_mapper[it->GetSecond().GetHashCode()]);
+ atom_mapper[it->GetSecond().GetHashCode()],
+ it->GetBondOrder());
}
}
--
GitLab