Changeset 0477b0 for src/Atom

Timestamp:

Apr 10, 2018, 6:43:11 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Enhanced_StructuralOptimization_continued, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, PythonUI_with_named_parameters, StoppableMakroAction, TremoloParser_IncreasedPrecision

Children:

8ddd07

Parents:

56b4c6

git-author:

Frederik Heber <frederik.heber@…> (06/24/17 11:22:59)

git-committer:

Frederik Heber <frederik.heber@…> (04/10/18 06:43:11)

Message:

Added sortByIds() to AtomSetMixin.

File:

• src/Atom/AtomSet.hpp (modified) (3 diffs)

src/Atom/AtomSet.hpp

@@ -16 +16 @@
 
 
+#include <algorithm>
 #include <functional>
+#include <limits>
 #include <numeric>
-#include <algorithm>
+
+#include <boost/bind.hpp>
 #include <boost/foreach.hpp>
-#include <limits>
 
 /**
@@ -79 +81 @@
   size_t getMaxTrajectorySize() const;
 
+  void sortByIds();
+
 private:
   template<class Function>
@@ -201 +205 @@
 }
 
+template <class container_type,
+          class iterator_type,
+          class const_iterator_type>
+inline void AtomSetMixin<container_type,iterator_type,const_iterator_type>::sortByIds(){
+  std::sort(this->begin(), this->end(),
+      boost::bind(std::less<atomId_t>(),
+          boost::bind(&atom::getId, _1),
+          boost::bind(&atom::getId, _2)));
+}
+
 // allows simpler definition of AtomSets
 #define ATOMSET(container_type) AtomSetMixin<container_type<atom*> >