Changeset 24fbf3 for src/Actions/WorldAction

Timestamp:

Oct 30, 2010, 6:44:29 PM (14 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

fc192f

Parents:

2a6a2c

git-author:

Frederik Heber <heber@…> (10/26/10 10:43:36)

git-committer:

Frederik Heber <heber@…> (10/30/10 18:44:29)

Message:

All specialization of ActionTraits now contain specific information.

• new defines in Action_impl_header.hpp: DEFAULTVALUE, DESCRiPTION, SHORTFORM, TYPEINFO.
• i.e. removed the MapOfActions' short-wiring.
• script used for extraction is in src/Actions/convert.sh.
• we cause a compilation error if DESCRIPTION or TYPEINFO are missing.
• FIX: added some typeinfos as void where missing.

Location:

src/Actions/WorldAction

Files:

• AddEmptyBoundaryAction.def (modified) (2 diffs)
• BoundInBoxAction.def (modified) (1 diff)
• CenterInBoxAction.def (modified) (2 diffs)
• CenterOnEdgeAction.def (modified) (1 diff)
• ChangeBoxAction.def (modified) (2 diffs)
• InputAction.def (modified) (1 diff)
• OutputAction.def (modified) (1 diff)
• RepeatBoxAction.def (modified) (2 diffs)
• ScaleBoxAction.def (modified) (2 diffs)
• SetDefaultNameAction.def (modified) (1 diff)
• SetGaussianBasisAction.def (modified) (1 diff)
• SetOutputFormatsAction.def (modified) (1 diff)

src/Actions/WorldAction/AddEmptyBoundaryAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "LinearAlgebra/Vector.hpp"
 
@@ -24 +25 @@
 #define TOKEN "boundary"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "change box to add an empty boundary around all atoms"
+#define SHORTFORM "c"
+#define TYPEINFO &typeid(VectorValue)

src/Actions/WorldAction/BoundInBoxAction.def

@@ -24 +24 @@
 #define TOKEN "bound-in-box"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "bound all atoms in the domain"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/WorldAction/CenterInBoxAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "Box.hpp"
 
@@ -24 +25 @@
 #define TOKEN "center-in-box"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "center all atoms in the domain"
+#define SHORTFORM "b"
+#define TYPEINFO &typeid(BoxValue)

src/Actions/WorldAction/CenterOnEdgeAction.def

@@ -24 +24 @@
 #define TOKEN "center-edge"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "center edge of all atoms on (0,0,0)"
+#define SHORTFORM "O"
+#define TYPEINFO &typeid(void)

src/Actions/WorldAction/ChangeBoxAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "Box.hpp"
 
@@ -24 +25 @@
 #define TOKEN "change-box"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "change the symmetrc matrix of the simulation domain"
+#define SHORTFORM "B"
+#define TYPEINFO &typeid(BoxValue)

src/Actions/WorldAction/InputAction.def

@@ -24 +24 @@
 #define TOKEN "input"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "specify input files"
+#define SHORTFORM "i"
+#define TYPEINFO &typeid(boost::filesystem::path)

src/Actions/WorldAction/OutputAction.def

@@ -24 +24 @@
 #define TOKEN "output"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "write output files"
+#define SHORTFORM "o"
+#define TYPEINFO &typeid(void)

src/Actions/WorldAction/RepeatBoxAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "LinearAlgebra/Vector.hpp"
 
@@ -24 +25 @@
 #define TOKEN "repeat-box"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "create periodic copies of the simulation box per axis"
+#define SHORTFORM "d"
+#define TYPEINFO &typeid(VectorValue)

src/Actions/WorldAction/ScaleBoxAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "LinearAlgebra/Vector.hpp"
 
@@ -24 +25 @@
 #define TOKEN "scale-box"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "scale box and atomic positions inside"
+#define SHORTFORM "s"
+#define TYPEINFO &typeid(VectorValue)

src/Actions/WorldAction/SetDefaultNameAction.def

@@ -24 +24 @@
 #define TOKEN "default-molname"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "set the default name of new molecules"
+#define SHORTFORM "X"
+#define TYPEINFO &typeid(std::string)

src/Actions/WorldAction/SetGaussianBasisAction.def

@@ -24 +24 @@
 #define TOKEN "set-basis"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "set the name of the gaussian basis set for MPQC"
+#define SHORTFORM "M"
+#define TYPEINFO &typeid(std::string)

src/Actions/WorldAction/SetOutputFormatsAction.def

@@ -24 +24 @@
 #define TOKEN "set-output"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "specify output formats"
+#define SHORTFORM "o"
+#define TYPEINFO &typeid(std::vector<std::string>)