Changeset e2009b

Timestamp:

Jul 22, 2010, 4:11:07 PM (15 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:

533838

Parents:

e0e156

Message:

Added a number of SelectionActions.

• (un)select atom/molecule.
• not integrated into MapOfActions so far

Location:

src/Actions

Files:

• Makefile.am (modified) (3 diffs)
• SelectionAction/AtomByIdAction.cpp (added)
• SelectionAction/AtomByIdAction.hpp (added)
• SelectionAction/MoleculeByIdAction.cpp (added)
• SelectionAction/MoleculeByIdAction.hpp (added)
• SelectionAction/NotAtomByIdAction.cpp (added)
• SelectionAction/NotAtomByIdAction.hpp (added)
• SelectionAction/NotMoleculeByIdAction.cpp (added)
• SelectionAction/NotMoleculeByIdAction.hpp (added)

src/Actions/Makefile.am

@@ -17 +17 @@
   ${MOLECULEACTIONSOURCE} \
   ${PARSERACTIONSOURCE} \
+  ${SELECTIONACTIONSOURCE} \
   ${TESSELATIONACTIONSOURCE} \
   ${WORLDACTIONSOURCE} \
@@ -28 +29 @@
   ${MOLECULEACTIONHEADER} \
   ${PARSERACTIONHEADER} \
+  ${SELECTIONACTIONHEADER} \
   ${TESSELATIONACTIONHEADER} \
   ${WORLDACTIONHEADER} \
@@ -107 +109 @@
   ParserAction/SaveXyzAction.hpp
 
+SELECTIONACTIONSOURCE = \
+        SelectionAction/AtomByIdAction.cpp \
+        SelectionAction/MoleculeByIdAction.cpp \
+        SelectionAction/NotAtomByIdAction.cpp \
+        SelectionAction/NotMoleculeByIdAction.cpp
+SELECTIONACTIONHEADER = \
+        SelectionAction/AtomByIdAction.hpp \
+        SelectionAction/MoleculeByIdAction.hpp \
+        SelectionAction/NotAtomByIdAction.hpp \
+        SelectionAction/NotMoleculeByIdAction.hpp
+
 TESSELATIONACTIONSOURCE = \
   TesselationAction/ConvexEnvelopeAction.cpp \