From f77fe6bf70f649440d66b0a5e0d0369ca6e32be7 Mon Sep 17 00:00:00 2001
From: B13nch3n <stefan.bienert@me.com>
Date: Wed, 15 Jul 2020 11:33:27 +0200
Subject: [PATCH] SCHWED-4835: Create bonds for entity branch on per atom pair
basis
---
modules/io/src/mol/mmcif_info.cc | 2 +-
modules/io/src/mol/mmcif_info.hh | 4 ++++
2 files changed, 5 insertions(+), 1 deletion(-)
diff --git a/modules/io/src/mol/mmcif_info.cc b/modules/io/src/mol/mmcif_info.cc
index dfa32874d..11a686b11 100644
--- a/modules/io/src/mol/mmcif_info.cc
+++ b/modules/io/src/mol/mmcif_info.cc
@@ -234,7 +234,7 @@ void MMCifInfo::ConnectBranchLinks(mol::XCSEditor editor)
blm_it->second.begin();
blv_it != blm_it->second.end();
++blv_it) {
- editor.Connect(blv_it->GetAtom1(), blv_it->GetAtom2());
+ blv_it->ConnectBranchLink(editor);
}
}
}
diff --git a/modules/io/src/mol/mmcif_info.hh b/modules/io/src/mol/mmcif_info.hh
index dde458992..8da038933 100644
--- a/modules/io/src/mol/mmcif_info.hh
+++ b/modules/io/src/mol/mmcif_info.hh
@@ -927,6 +927,10 @@ public:
atom1_(atom1), atom2_(atom2) {}
mol::AtomHandle GetAtom1() const { return atom1_;}
mol::AtomHandle GetAtom2() const { return atom2_; }
+ void ConnectBranchLink(mol::XCSEditor editor)
+ {
+ editor.Connect(atom1_, atom2_);
+ }
private:
mol::AtomHandle atom1_;
--
GitLab