Changeset ff2c52 for src/Actions/PotentialAction/ParseHomologiesAction.cpp

Timestamp:

Apr 23, 2021, 8:55:19 PM (5 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

5196ca

Parents:

9171d8

git-author:

Frederik Heber <frederik.heber@…> (03/28/21 11:47:07)

git-committer:

Frederik Heber <frederik.heber@…> (04/23/21 20:55:19)

Message:

ParseHomologies action lists values and their energy range per key.

• i.e. we get how many values are stored per homology graph.
• DOCU: Added note in userguide.

File:

• src/Actions/PotentialAction/ParseHomologiesAction.cpp (modified) (1 diff)

src/Actions/PotentialAction/ParseHomologiesAction.cpp

@@ -78 +78 @@
                   // if it's the same as the old one, skip it
                   if (olditer == iter)
-                        continue;
-                  else
-                        olditer = iter;
-                  LOG(3, "DEBUG: " << *iter);
+                    continue;
+                  else {
+              const HomologyContainer::range_t range = homology_container.getHomologousGraphs(*iter);
+              LOG(2, "DEBUG: " << *iter << " with " << std::distance(range.first, range.second) << " values.");
+        const HomologyContainer::const_iterator lowest_contribution_graph =
+            std::min_element(range.first, range.second, HomologyContainer::compareEnergyContribution);
+        const HomologyContainer::const_iterator highest_contribution_graph =
+            std::max_element(range.first, range.second, HomologyContainer::compareEnergyContribution);
+        LOG(3, "DEBUG: Energy contributions range from "
+            <<  lowest_contribution_graph->second.energy << " Ht to "
+            << highest_contribution_graph->second.energy << " Ht.");
+                    olditer = iter;
+                  }
                 }
     }