Changes in src/Actions/MapOfActions.cpp [4e4c4d:eaf4ae]

File:

• src/Actions/MapOfActions.cpp (modified) (7 diffs)

src/Actions/MapOfActions.cpp

@@ -26 +26 @@
 #include "CommandLineParser.hpp"
 #include "element.hpp"
-#include "log.hpp"
-#include "Matrix.hpp"
+#include "Helpers/Log.hpp"
+#include "LinearAlgebra/Matrix.hpp"
 #include "molecule.hpp"
 #include "periodentafel.hpp"
-#include "vector.hpp"
-#include "verbose.hpp"
+#include "LinearAlgebra/Vector.hpp"
+#include "Helpers/Verbose.hpp"
 
 #include "Actions/ActionRegistry.hpp"
@@ -55 +55 @@
 #include "Actions/MoleculeAction/FillWithMoleculeAction.hpp"
 #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
+#include "Actions/MoleculeAction/RotateAroundOriginByAngleAction.hpp"
+#include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp"
 #include "Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp"
 #include "Actions/MoleculeAction/SaveAdjacencyAction.hpp"
@@ -203 +205 @@
   DescriptionMap["remove-sphere"] = "remove sphere of atoms of around a specified atom";
   DescriptionMap["repeat-box"] = "create periodic copies of the simulation box per axis";
+  DescriptionMap["rotate-origin"] = "rotates molecules by a specific angle around origin";
+  DescriptionMap["rotate-self"] = "rotates molecules by a specific angle around own center of gravity";
   DescriptionMap["rotate-to-pas"] = "calculate the principal axis system of the specified molecule and rotate specified axis to align with main axis";
   DescriptionMap["save-adjacency"] = "name of the adjacency file to write to";
@@ -319 +323 @@
   TypeMap["remove-sphere"] = &typeid(double);
   TypeMap["repeat-box"] = &typeid(VectorValue);
-  TypeMap["rotate-to-pas"] = &typeid(molecule);
+  TypeMap["rotate-origin"] = &typeid(double);
+  TypeMap["rotate-self"] = &typeid(double);
+  TypeMap["rotate-to-pas"] = &typeid(VectorValue);
   TypeMap["save-adjacency"] = &typeid(std::string);
   TypeMap["save-bonds"] = &typeid(std::string);
@@ -423 +429 @@
   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "fill-molecule") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "linear-interpolate") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "rotate-origin") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "rotate-self") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "rotate-to-pas") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "save-adjacency") );
@@ -487 +495 @@
   generic.insert("remove-sphere");
   generic.insert("repeat-box");
+  generic.insert("rotate-origin");
+  generic.insert("rotate-self");
   generic.insert("rotate-to-pas");
         generic.insert("save-adjacency");
@@ -807 +817 @@
   new MoleculeFillWithMoleculeAction();
   new MoleculeLinearInterpolationofTrajectoriesAction();
+  new MoleculeRotateAroundOriginByAngleAction();
+  new MoleculeRotateAroundSelfByAngleAction();
   new MoleculeRotateToPrincipalAxisSystemAction();
   new MoleculeSaveAdjacencyAction();