Changeset 564f17 for src/Fragmentation/Homology/HomologyContainer.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/Fragmentation/Homology/HomologyContainer.cpp (modified) (3 diffs)

src/Fragmentation/Homology/HomologyContainer.cpp

@@ -63 +63 @@
     out << "Graph: " << iter->first
         << ", (Fragment " << iter->second.fragment
-        << ":" << iter->second.energy
+        << ":" << iter->second.fragmentenergy
+        << ":" << iter->second.contribution
         << ":" << iter->second.charge_distribution.integral()
         << ")\n";
@@ -74 +75 @@
   if (fragment != othervalue.fragment)
     return false;
-  if (energy != othervalue.energy)
+  if (fragmentenergy != othervalue.fragmentenergy)
+    return false;
+  if (contribution != othervalue.contribution)
     return false;
   if (charge_distribution != othervalue.charge_distribution)
@@ -117 +120 @@
       const std::pair<const HomologyGraph, HomologyContainer::value_t> &a,
       const std::pair<const HomologyGraph, HomologyContainer::value_t> &b) {
-  return a.second.energy < b.second.energy;
+  return a.second.contribution < b.second.contribution;
+}
+
+bool HomologyContainer::compareEnergy(
+      const std::pair<const HomologyGraph, HomologyContainer::value_t> &a,
+      const std::pair<const HomologyGraph, HomologyContainer::value_t> &b) {
+  return a.second.fragmentenergy < b.second.fragmentenergy;
 }