Changeset c98620 for src/Potentials/BindingModel.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/BindingModel.cpp (modified) (2 diffs)

src/Potentials/BindingModel.cpp

@@ -37 +37 @@
 
 #include "Potentials/BindingModel.hpp"
+
+#include <iostream>
+
+#include "CodePatterns/toString.hpp"
 
 static HomologyGraph::nodes_t getMapOfNodes(const BindingModel::vector_nodes_t &_nodes)
@@ -79 +83 @@
 }
 
+std::ostream& operator<<(std::ostream& ost, const BindingModel &model) {
+  model.getGraph().printEdges(ost);
+  ost << ", " << model.getNodes();
+  return ost;
+}