Changeset c98620 for src/Potentials/StreamFactory_EmpiricalPotential.cpp

Timestamp:

May 19, 2021, 7:06:29 PM (4 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

9b0dcd

Parents:

698185

git-author:

Frederik Heber <frederik.heber@…> (05/19/21 11:00:24)

git-committer:

Frederik Heber <frederik.heber@…> (05/19/21 19:06:29)

Message:

FIX: StreamFactory did not set BindingModel.

• we streamed into a default potential instance but this does not set the BindingModel. Now, we use the particle types from that deseralized instance and instantiate a new potential that then also generates the BindingModel.
• added output operator to BindingModel.
• TEST: This fixes the fit-compound-potential regression test case.

File:

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

src/Potentials/StreamFactory_EmpiricalPotential.cpp

@@ -49 +49 @@
     std::istream &serialized) const
 {
-  EmpiricalPotential * const potential = getDefaultPotential(potentialtype);
+  EmpiricalPotential * full_potential;
   // now stream in types and parameters
   try {
+    EmpiricalPotential * const potential = getDefaultPotential(potentialtype);
     potential->stream_from(serialized);
+    // also need to generate the binding model
+    full_potential = createInstance(potentialtype, potential->getParticleTypes());
+    delete potential;
   } catch (SerializerMissingValueException &e) {
     ELOG(1, "Missing value for potential in line " << e.what());
   }
 
-  return potential;
+  return full_potential;
 }