Changeset 564f17 for src/Actions/GraphAction/ChemicalSpaceEvaluatorAction.cpp

Timestamp:

Apr 28, 2021, 10:02:49 PM (5 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

5aa337

Parents:

e0e77e

git-author:

Frederik Heber <frederik.heber@…> (04/18/21 12:23:17)

git-committer:

Frederik Heber <frederik.heber@…> (04/28/21 22:02:49)

Message:

Extended HomologyContainer::value_t by fragment energy.

• renamed energy to contribution to notice all old usages.

File:

• src/Actions/GraphAction/ChemicalSpaceEvaluatorAction.cpp (modified) (1 diff)

src/Actions/GraphAction/ChemicalSpaceEvaluatorAction.cpp

@@ -535 +535 @@
             std::max_element(range.first, range.second, HomologyContainer::compareEnergyContribution);
         LOG(2, "INFO: Fragment graph " << nodes_graph << " has energy contributions from "
-            << lowest_contribution_graph->second.energy << " Ht till "
-            << highest_contribution_graph->second.energy << " Ht, picking lowest.");
-        total_energy += lowest_contribution_graph->second.energy;
+            << lowest_contribution_graph->second.contribution << " Ht till "
+            << highest_contribution_graph->second.contribution << " Ht, picking lowest.");
+        total_energy += lowest_contribution_graph->second.contribution;
       }
     }