From 88745d47f2e0b69d992c6dab49e2fb0732bc24a3 Mon Sep 17 00:00:00 2001
From: Niklaus Johner <niklaus.johner@unibas.ch>
Date: Mon, 1 Sep 2014 16:42:19 +0200
Subject: [PATCH] Fix to pass unit cell information when merging several
CoorGroup
---
modules/mol/base/src/coord_group.cc | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/modules/mol/base/src/coord_group.cc b/modules/mol/base/src/coord_group.cc
index 856ad6967..3ab9ec3db 100644
--- a/modules/mol/base/src/coord_group.cc
+++ b/modules/mol/base/src/coord_group.cc
@@ -146,7 +146,8 @@ void CoordGroupHandle::AddFrames(const CoordGroupHandle& cg)
throw IntegrityError("Atom number don't match");
}
for (size_t i=0; i<cg.GetFrameCount(); ++i) {
- source_->AddFrame(*cg.GetFrame(i));
+ CoordFramePtr p = cg.GetFrame(i);
+ source_->AddFrame(*p,p->GetCellSize(),p->GetCellAngles());
}
} else {
throw IntegrityError("Can't add frame to immutable CoordGroup");
--
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