Serialize SurfaceMover

salilab · Oct 25, 2023 · 2f40b36 · 2f40b36
1 parent 1baf8c6
commit 2f40b36
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Showing 4 changed files with 48 additions and 3 deletions.
diff --git a/modules/core/include/SurfaceMover.h b/modules/core/include/SurfaceMover.h
@@ -2,7 +2,7 @@
  *  \file IMP/core/SurfaceMover.h
  *  \brief A mover that transforms a Surface.
  *
- *  Copyright 2007-2022 IMP Inventors. All rights reserved.
+ *  Copyright 2007-2023 IMP Inventors. All rights reserved.
  *
  */
 
@@ -16,6 +16,9 @@
 #include <IMP/Particle.h>
 #include <IMP/Object.h>
 #include <IMP/Model.h>
+#include <cereal/access.hpp>
+#include <cereal/types/base_class.hpp>
+#include <cereal/types/polymorphic.hpp>
 
 
 IMPCORE_BEGIN_NAMESPACE
@@ -42,13 +45,22 @@ class IMPCOREEXPORT SurfaceMover : public MonteCarloMover {
     void initialize(ParticleIndex pi, double max_translation,
                     double max_rotation, double reflect_probability);
 
+    friend class cereal::access;
+    template<class Archive> void serialize(Archive &ar) {
+      ar(cereal::base_class<MonteCarloMover>(this), last_transform_,
+         max_translation_, max_angle_, reflect_prob_, pi_);
+    }
+    IMP_OBJECT_SERIALIZE_DECL(SurfaceMover);
+
   public:
     SurfaceMover(Model *m, ParticleIndex pi, Float max_translation,
                  Float max_rotation, Float reflect_probability);
 
     SurfaceMover(Surface s, Float max_translation, Float max_rotation,
                  Float reflect_probability);
 
+    SurfaceMover() {}
+
     //! Set the maximum translation in angstroms.
     void set_maximum_translation(Float mt);
 

diff --git a/modules/core/pyext/swig.i-in b/modules/core/pyext/swig.i-in
@@ -13,7 +13,7 @@ IMP_SWIG_OBJECT_SERIALIZE( IMP::core, BallMover, BallMovers);
 IMP_SWIG_OBJECT_SERIALIZE( IMP::core, SerialMover, SerialMovers);
 IMP_SWIG_OBJECT_SERIALIZE( IMP::core, SubsetMover, SubsetMovers);
 IMP_SWIG_OBJECT_SERIALIZE( IMP::core, DirectionMover, DirectionMovers);
-IMP_SWIG_OBJECT( IMP::core, SurfaceMover, SurfaceMovers);
+IMP_SWIG_OBJECT_SERIALIZE( IMP::core, SurfaceMover, SurfaceMovers);
 IMP_SWIG_OBJECT_INSTANCE( IMP::core, BoundingBox3DSingletonScore, BoundingBox3DSingletonScore, BoundingBox3DSingletonScores);
 IMP_SWIG_OBJECT_INSTANCE( IMP::core, BoundingSphere3DSingletonScore, BoundingSphere3DSingletonScore, BoundingSphere3DSingletonScores);
 #ifdef IMP_CORE_USE_IMP_CGAL

diff --git a/modules/core/src/SurfaceMover.cpp b/modules/core/src/SurfaceMover.cpp
@@ -2,7 +2,7 @@
  *  \file SurfaceMover.cpp
  *  \brief A mover that transforms a Surface
  *
- *  Copyright 2007-2022 IMP Inventors. All rights reserved.
+ *  Copyright 2007-2023 IMP Inventors. All rights reserved.
  *
  */
 #include <IMP/core/SurfaceMover.h>
@@ -97,4 +97,6 @@ ModelObjectsTemp SurfaceMover::do_get_inputs() const {
   return ParticlesTemp(1, get_model()->get_particle(pi_));
 }
 
+IMP_OBJECT_SERIALIZE_IMPL(IMP::core::SurfaceMover);
+
 IMPCORE_END_NAMESPACE
diff --git a/modules/core/test/test_surface_mover.py b/modules/core/test/test_surface_mover.py
@@ -3,6 +3,7 @@
 import IMP.core
 import IMP.atom
 import IMP.test
+import pickle
 
 
 class Tests(IMP.test.TestCase):
@@ -65,6 +66,36 @@ def test_inputs(self):
         self.assertSetEqual(set([surf.get_particle()]), set(mv.get_inputs()))
         mv.set_was_used(True)
 
+    def test_pickle(self):
+        """Test (un-)pickle of SurfaceMover"""
+        m = IMP.Model()
+        surf = IMP.core.Surface.setup_particle(IMP.Particle(m))
+        surf.set_coordinates_are_optimized(True)
+        surf.set_normal_is_optimized(True)
+        mvr = IMP.core.SurfaceMover(surf, 1, .1, 1.)
+        mvr.set_name("foo")
+        dump = pickle.dumps(mvr)
+
+        newmvr = pickle.loads(dump)
+        self.assertEqual(newmvr.get_name(), "foo")
+        self.assertSetEqual(set([surf.get_particle()]),
+                            set(newmvr.get_inputs()))
+
+    def test_pickle_polymorphic(self):
+        """Test (un-)pickle of SurfaceMover via polymorphic pointer"""
+        m = IMP.Model()
+        surf = IMP.core.Surface.setup_particle(IMP.Particle(m))
+        surf.set_coordinates_are_optimized(True)
+        surf.set_normal_is_optimized(True)
+        mvr = IMP.core.SurfaceMover(surf, 1, .1, 1.)
+        mvr.set_name("foo")
+        sm = IMP.core.SerialMover([mvr])
+        dump = pickle.dumps(sm)
+
+        newsm = pickle.loads(dump)
+        newmvr, = newsm.get_movers()
+        self.assertEqual(newmvr.get_name(), "foo")
+
 
 if __name__ == '__main__':
     IMP.test.main()