From 4bbce4930648ee2e5b748a5c5a904cadbdc8d1da Mon Sep 17 00:00:00 2001
From: marco <marco@5a81b35b-ba03-0410-adc8-b2c5c5119f08>
Date: Thu, 4 Mar 2010 18:50:17 +0000
Subject: [PATCH] add handle parameter to CreateEntityFromView
If the handle is valid, the atoms, residues, chains, bonds an torsions
are added to the handle instead of creating a new one. Useful to merge two entity handles into one.
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@1765 5a81b35b-ba03-0410-adc8-b2c5c5119f08
---
modules/mol/base/pymod/export_entity_view.cc | 3 ++-
modules/mol/base/src/view_op.cc | 13 ++++++++-----
modules/mol/base/src/view_op.hh | 10 +++++++---
3 files changed, 17 insertions(+), 9 deletions(-)
diff --git a/modules/mol/base/pymod/export_entity_view.cc b/modules/mol/base/pymod/export_entity_view.cc
index 8d40e6261..765c33f57 100644
--- a/modules/mol/base/pymod/export_entity_view.cc
+++ b/modules/mol/base/pymod/export_entity_view.cc
@@ -157,7 +157,8 @@ void export_EntityView()
def("CreateViewFromAtoms", create_view_1);
def("CreateViewFromAtoms", create_view_2);
- def("CreateEntityFromView", &CreateEntityFromView);
+ def("CreateEntityFromView", &CreateEntityFromView,
+ arg("handle")=EntityHandle());
class_<EntityViewList>("EntityViewList", init<>())
.def(vector_indexing_suite<EntityViewList>())
;
diff --git a/modules/mol/base/src/view_op.cc b/modules/mol/base/src/view_op.cc
index 2999c1274..88e964d92 100644
--- a/modules/mol/base/src/view_op.cc
+++ b/modules/mol/base/src/view_op.cc
@@ -389,13 +389,16 @@ private:
}
EntityHandle CreateEntityFromView(const EntityView& view,
- bool include_exlusive_atoms)
+ bool include_exlusive_atoms,
+ EntityHandle handle)
{
Profile create_time("mol::CreateEntityFromView");
- EntityHandle ent=CreateEntity();
- Replicator replicator(ent.Impl(), view, include_exlusive_atoms);
- TorsionAdder adder(replicator, ent.Impl(), view);
- return ent;
+ if (!handle.IsValid()) {
+ handle=CreateEntity();
+ }
+ Replicator replicator(handle.Impl(), view, include_exlusive_atoms);
+ TorsionAdder adder(replicator, handle.Impl(), view);
+ return handle;
}
}} // ns
diff --git a/modules/mol/base/src/view_op.hh b/modules/mol/base/src/view_op.hh
index c11b71cbb..809363758 100644
--- a/modules/mol/base/src/view_op.hh
+++ b/modules/mol/base/src/view_op.hh
@@ -26,7 +26,7 @@
#include <ost/mol/view_type_fw.hh>
#include <ost/mol/handle_type_fw.hh>
#include <ost/integrity_error.hh>
-
+#include <ost/mol/entity_handle.hh>
namespace ost { namespace mol {
@@ -87,8 +87,12 @@ CompareViews(const EntityView& view1, const EntityView& view2);
/// \param view is the view to be converted to a handle
/// \param include_exlusive_atoms if true, atoms that are part of an exclusive
/// bond will also be included in the new entity handle.
-EntityHandle DLLEXPORT_OST_MOL CreateEntityFromView(const EntityView& view,
- bool include_exlusive_atoms);
+/// \param handle If invalid a new entity will be created. If valid, the atoms,
+/// residues, chains, bonds and torsions will be added to handle. This is
+/// useful to combine several entities into one.
+EntityHandle DLLEXPORT_OST_MOL
+CreateEntityFromView(const EntityView& view, bool include_exlusive_atoms,
+ EntityHandle handle=EntityHandle());
}} // ns
#endif
--
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