Changeset c98620 for src/Potentials/StreamFactory_EmpiricalPotential.hpp

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.hpp (modified) (2 diffs)

src/Potentials/StreamFactory_EmpiricalPotential.hpp

@@ -16 +16 @@
 
 #include "StreamFactory.hpp"
+
+#include <string>
 
 #include "Potentials/EmpiricalPotential.hpp"
@@ -48 +50 @@
    */
   virtual EmpiricalPotential* getDefaultPotential(const std::string &_name) const=0;
+
+  virtual EmpiricalPotential *createInstance(
+      const std::string &potentialtype,
+      const SerializablePotential::ParticleTypes_t &charges) const=0;
+
 };