From b5cbaa22e0ef01dfc7b1a92b0022cbe7a63205b3 Mon Sep 17 00:00:00 2001
From: Niklaus Johner <nij2003@med.cornell.edu>
Date: Fri, 25 Oct 2013 17:22:11 -0400
Subject: [PATCH] Added support for unit cell size and angles in the
CoordGroup::Filter function
---
modules/mol/base/src/coord_group.cc | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/modules/mol/base/src/coord_group.cc b/modules/mol/base/src/coord_group.cc
index 1edd38b45..856ad6967 100644
--- a/modules/mol/base/src/coord_group.cc
+++ b/modules/mol/base/src/coord_group.cc
@@ -256,7 +256,7 @@ CoordGroupHandle CoordGroupHandle::Filter(const EntityView& selected, int first,
j=indices.begin(), e2=indices.end(); j!=e2; ++j) {
vecs[j-indices.begin()]=(*frame)[*j];
}
- filtered_cg.AddFrame(vecs);
+ filtered_cg.AddFrame(vecs,(*frame).GetCellSize(),(*frame).GetCellAngles());
}
return filtered_cg;
}
--
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