Changeset 5a255af for src/Potentials/StreamFactory_EmpiricalPotential.cpp

Timestamp:

Aug 30, 2025, 2:41:40 PM (2 months ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

72b6d7

Parents:

476781

git-author:

Frederik Heber <frederik.heber@…> (08/15/25 21:55:25)

git-committer:

Frederik Heber <frederik.heber@…> (08/30/25 14:41:40)

Message:

FIX: deserialized EmpiricalPotential lacked parameters.

• with the change to particletypes in c986207a, we switched from overriding the default potential to creating a new instance (which is then registered). However, we did not deserialize the parameters into the newly, to be registered instance but only in a copy of the default with correct particle types. This is fixed.

File:

• src/Potentials/StreamFactory_EmpiricalPotential.cpp (modified) (1 diff)

src/Potentials/StreamFactory_EmpiricalPotential.cpp

@@ -49 +49 @@
     std::istream &serialized) const
 {
-  EmpiricalPotential * full_potential;
+  EmpiricalPotential * full_potential = NULL;
   // now stream in types and parameters
   try {
+        // first, deserialize into a default potential for the correct particle types
     EmpiricalPotential * const potential = getDefaultPotential(potentialtype);
     potential->stream_from(serialized);
-    // also need to generate the binding model
+    // then create a proper instance which also has the correct BindingModel
     full_potential = createInstance(potentialtype, potential->getParticleTypes());
+    // finally, serialize&deserialize parameters from default into the full instance
+    std::stringstream parameter_stream;
+    potential->stream_to(parameter_stream);
+    full_potential->stream_from(parameter_stream);
+    LOG(3, "Deserialized full potential: " << *full_potential);
     delete potential;
   } catch (SerializerMissingValueException &e) {