Changeset 5f869d7 for src

Timestamp:

May 8, 2017, 1:54:49 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_goodresults, ForceAnnealing_tocheck

Children:

cb4037

Parents:

af78af

git-author:

Frederik Heber <heber@…> (03/28/17 09:33:11)

git-committer:

Frederik Heber <frederik.heber@…> (05/08/17 13:54:49)

Message:

Added four GeometryActions to convert atom positions into vectors.

• added reverse switch to distance and plane to vector Actions.
• InputToVector has coordinates to differentiate from position option. This eases use with CommandLineParser where option names need to be unique.

Location:

src

Files:

• Actions/GeometryAction/GeometryDistanceToVectorAction.cpp (added)
• Actions/GeometryAction/GeometryDistanceToVectorAction.def (added)
• Actions/GeometryAction/GeometryDistanceToVectorAction.hpp (added)
• Actions/GeometryAction/GeometryInputToVectorAction.cpp (added)
• Actions/GeometryAction/GeometryInputToVectorAction.def (added)
• Actions/GeometryAction/GeometryInputToVectorAction.hpp (added)
• Actions/GeometryAction/GeometryPlaneToVectorAction.cpp (added)
• Actions/GeometryAction/GeometryPlaneToVectorAction.def (added)
• Actions/GeometryAction/GeometryPlaneToVectorAction.hpp (added)
• Actions/GeometryAction/GeometryPositionToVectorAction.cpp (added)
• Actions/GeometryAction/GeometryPositionToVectorAction.def (added)
• Actions/GeometryAction/GeometryPositionToVectorAction.hpp (added)
• Actions/GlobalListOfActions.hpp (modified) (1 diff)
• Actions/Makefile.am (modified) (4 diffs)
• UIElements/Menu/MenuDescription.cpp (modified) (3 diffs)

src/Actions/GlobalListOfActions.hpp

@@ -69 +69 @@
   (FragmentationStoreSaturatedFragment) \
   (FragmentationStructuralOptimization) \
+  (GeometryDistanceToVector) \
+  (GeometryInputToVector) \
+  (GeometryPlaneToVector) \
+  (GeometryPositionToVector) \
   (GraphUpdateMolecules) \
   (GraphCorrectBondDegree) \

src/Actions/Makefile.am

@@ -64 +64 @@
   ${FILLACTIONSOURCE} \
   ${FRAGMENTATIONACTIONSOURCE} \
+  ${GEOMETRYACTIONSOURCE} \
   ${GRAPHACTIONSOURCE} \
   ${MOLECULEACTIONSOURCE} \
@@ -84 +85 @@
   ${FILLACTIONHEADER} \
   ${FRAGMENTATIONACTIONHEADER} \
+  ${GEOMETRYACTIONHEADER} \
   ${GRAPHACTIONHEADER} \
   ${MOLECULEACTIONHEADER} \
@@ -104 +106 @@
   ${FILLACTIONDEFS} \
   ${FRAGMENTATIONACTIONDEFS} \
+  ${GEOMETRYACTIONDEFS} \
   ${GRAPHACTIONDEFS} \
   ${MOLECULEACTIONDEFS} \
@@ -285 +288 @@
   Actions/FragmentationAction/StoreSaturatedFragmentAction.def \
   Actions/FragmentationAction/StructuralOptimizationAction.def
+
+GEOMETRYACTIONSOURCE = \
+        Actions/GeometryAction/GeometryDistanceToVectorAction.cpp \
+        Actions/GeometryAction/GeometryInputToVectorAction.cpp \
+        Actions/GeometryAction/GeometryPlaneToVectorAction.cpp \
+        Actions/GeometryAction/GeometryPositionToVectorAction.cpp
+GEOMETRYACTIONHEADER = \
+        Actions/GeometryAction/GeometryDistanceToVectorAction.hpp \
+        Actions/GeometryAction/GeometryInputToVectorAction.hpp \
+        Actions/GeometryAction/GeometryPlaneToVectorAction.hpp \
+        Actions/GeometryAction/GeometryPositionToVectorAction.hpp
+GEOMETRYACTIONDEFS = \
+        Actions/GeometryAction/GeometryDistanceToVectorAction.def \
+        Actions/GeometryAction/GeometryInputToVectorAction.def \
+        Actions/GeometryAction/GeometryPlaneToVectorAction.def \
+        Actions/GeometryAction/GeometryPositionToVectorAction.def
 
 GRAPHACTIONSOURCE = \

src/UIElements/Menu/MenuDescription.cpp

@@ -61 +61 @@
   // put each menu into its place, "" means top level
   MenuPositionMap->insert(std::make_pair("analysis",TopPosition("tools",1)));
-  MenuPositionMap->insert(std::make_pair("atom",TopPosition("edit",1)));
-  MenuPositionMap->insert(std::make_pair("bond",TopPosition("edit",2)));
+  MenuPositionMap->insert(std::make_pair("atom",TopPosition("edit",2)));
+  MenuPositionMap->insert(std::make_pair("bond",TopPosition("edit",3)));
   MenuPositionMap->insert(std::make_pair("command",TopPosition("",3)));
   MenuPositionMap->insert(std::make_pair("edit",TopPosition("",2)));
   MenuPositionMap->insert(std::make_pair("fill",TopPosition("tools",5)));
   MenuPositionMap->insert(std::make_pair("fragmentation",TopPosition("tools",3)));
+  MenuPositionMap->insert(std::make_pair("geometry",TopPosition("edit",5)));
   MenuPositionMap->insert(std::make_pair("graph",TopPosition("tools",4)));
-  MenuPositionMap->insert(std::make_pair("molecule",TopPosition("edit",3)));
+  MenuPositionMap->insert(std::make_pair("molecule",TopPosition("edit",4)));
   MenuPositionMap->insert(std::make_pair("potential",TopPosition("tools",7)));
-  MenuPositionMap->insert(std::make_pair("parser",TopPosition("edit",4)));
-  MenuPositionMap->insert(std::make_pair("selection",TopPosition("edit",5)));
+  MenuPositionMap->insert(std::make_pair("parser",TopPosition("edit",6)));
+  MenuPositionMap->insert(std::make_pair("selection",TopPosition("edit",1)));
   MenuPositionMap->insert(std::make_pair("tesselation",TopPosition("tools",2)));
   MenuPositionMap->insert(std::make_pair("shape",TopPosition("tools",6)));
@@ -85 +86 @@
   MenuDescriptionsMap->insert(std::make_pair("fill","Fill"));
   MenuDescriptionsMap->insert(std::make_pair("fragmentation","Fragmentation"));
+  MenuDescriptionsMap->insert(std::make_pair("geometry","Geometry"));
   MenuDescriptionsMap->insert(std::make_pair("graph","Graph"));
   MenuDescriptionsMap->insert(std::make_pair("molecule","Parse files into system"));
@@ -103 +105 @@
   MenuNameMap->insert(std::make_pair("fill","Fill"));
   MenuNameMap->insert(std::make_pair("fragmentation","Fragmentation"));
+  MenuNameMap->insert(std::make_pair("geometry","Geometry"));
   MenuNameMap->insert(std::make_pair("graph","Graph"));
   MenuNameMap->insert(std::make_pair("molecule","Molecules"));