Changeset 987145 for src/UIElements/CommandLineUI

Timestamp:

Jun 19, 2017, 8:24:16 AM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChangeBugEmailaddress, ChemicalSpaceEvaluator, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, Fix_Verbose_Codepatterns, ForceAnnealing_oldresults, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps

Children:

467b2b

Parents:

97c364

git-author:

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

git-committer:

Frederik Heber <frederik.heber@…> (06/19/17 08:24:16)

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/UIElements/CommandLineUI

Files:

• CommandLineParser.cpp (modified) (2 diffs)
• CommandLineParser.hpp (modified) (1 diff)

src/UIElements/CommandLineUI/CommandLineParser.cpp

@@ -72 +72 @@
   shape("shape options"),
   fragmentation("Fragmentation options"),
+  geometry("Geometry options"),
   graph("Graph options"),
   molecule("Molecule options"),
@@ -90 +91 @@
   CmdParserLookup["shape"] = &shape;
   CmdParserLookup["fragmentation"] = &fragmentation;
+  CmdParserLookup["geometry"] = &geometry;
   CmdParserLookup["graph"] = &graph;
   CmdParserLookup["options"] = &options;

src/UIElements/CommandLineUI/CommandLineParser.hpp

@@ -62 +62 @@
   po::options_description shape;
   po::options_description fragmentation;
+  po::options_description geometry;
   po::options_description graph;
   po::options_description molecule;