Changeset e472eab for src/Actions


Ignore:
Timestamp:
Jul 25, 2010, 9:41:34 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:
521bbf
Parents:
8d4aa1
Message:

Added new all/none selection actions for atoms and molecules.

Location:
src/Actions
Files:
8 added
2 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/Makefile.am

    r8d4aa1 re472eab  
    114114
    115115SELECTIONACTIONSOURCE = \
     116        SelectionAction/AllAtomsAction.cpp \
     117        SelectionAction/AllMoleculesAction.cpp \
    116118        SelectionAction/AtomByIdAction.cpp \
    117119        SelectionAction/MoleculeByIdAction.cpp \
     120        SelectionAction/NotAllAtomsAction.cpp \
     121        SelectionAction/NotAllMoleculesAction.cpp \
    118122        SelectionAction/NotAtomByIdAction.cpp \
    119123        SelectionAction/NotMoleculeByIdAction.cpp
    120124SELECTIONACTIONHEADER = \
     125        SelectionAction/AllAtomsAction.hpp \
     126        SelectionAction/AllMoleculesAction.hpp \
    121127        SelectionAction/AtomByIdAction.hpp \
    122128        SelectionAction/MoleculeByIdAction.hpp \
     129        SelectionAction/NotAllAtomsAction.hpp \
     130        SelectionAction/NotAllMoleculesAction.hpp \
    123131        SelectionAction/NotAtomByIdAction.hpp \
    124132        SelectionAction/NotMoleculeByIdAction.hpp
  • src/Actions/MapOfActions.cpp

    r8d4aa1 re472eab  
    6464#include "Actions/ParserAction/LoadXyzAction.hpp"
    6565#include "Actions/ParserAction/SaveXyzAction.hpp"
     66#include "Actions/SelectionAction/AllAtomsAction.hpp"
     67#include "Actions/SelectionAction/AllMoleculesAction.hpp"
    6668#include "Actions/SelectionAction/AtomByIdAction.hpp"
    6769#include "Actions/SelectionAction/MoleculeByIdAction.hpp"
     70#include "Actions/SelectionAction/NotAllAtomsAction.hpp"
     71#include "Actions/SelectionAction/NotAllMoleculesAction.hpp"
    6872#include "Actions/SelectionAction/NotAtomByIdAction.hpp"
    6973#include "Actions/SelectionAction/NotMoleculeByIdAction.hpp"
     
    236240  DescriptionMap["periodic"] = "system is constraint to periodic boundary conditions (y/n)";
    237241  DescriptionMap["position"] = "position in R^3 space";
     242  DescriptionMap["select-all-atoms"] = "select all atoms";
     243  DescriptionMap["select-all-molecules"] = "select all molecules";
    238244  DescriptionMap["select-atom-by-id"] = "select an atom by index";
    239245  DescriptionMap["select-molecule-by-id"] = "select a molecule by index";
    240246  DescriptionMap["start-step"] = "first or start step";
     247  DescriptionMap["unselect-all-atoms"] = "unselect all atoms";
     248  DescriptionMap["unselect-all-molecules"] = "unselect all molecules";
    241249  DescriptionMap["unselect-atom-by-id"] = "unselect an atom by index";
    242250  DescriptionMap["unselect-molecule-by-id"] = "unselect a molecule by index";
     
    343351  TypeMap["periodic"] = &typeid(bool);
    344352  TypeMap["position"] = &typeid(VectorValue);
     353  TypeMap["select-all-atoms"] = &typeid(void);
     354  TypeMap["select-all-molecules"] = &typeid(void);
    345355  TypeMap["select-atom-by-id"] = &typeid(atom);
    346356  TypeMap["select-molecule-by-id"] = &typeid(molecule);
    347357  TypeMap["start-step"] = &typeid(int);
     358  TypeMap["unselect-all-atoms"] = &typeid(void);
     359  TypeMap["unselect-all-molecules"] = &typeid(void);
    348360  TypeMap["unselect-atom-by-id"] = &typeid(atom);
    349361  TypeMap["unselect-molecule-by-id"] = &typeid(molecule);
     
    475487  generic.insert("save-temperature");
    476488  generic.insert("scale-box");
     489  generic.insert("select-all-atoms");
     490  generic.insert("select-all-molecules");
     491  generic.insert("select-atom-by-id");
     492  generic.insert("select-molecule-by-id");
    477493  generic.insert("set-basis");
    478494  generic.insert("set-output");
     
    480496  generic.insert("suspend-in-water");
    481497  generic.insert("translate-mol");
     498  generic.insert("unselect-all-atoms");
     499  generic.insert("unselect-all-molecules");
     500  generic.insert("unselect-atom-by-id");
     501  generic.insert("unselect-molecule-by-id");
    482502        generic.insert("verbose");
    483503  generic.insert("verlet-integrate");
     
    507527  hidden.insert("periodic");
    508528  hidden.insert("position");
    509   hidden.insert("select-atom-by-id");
    510   hidden.insert("select-molecule-by-id");
    511529  hidden.insert("start-step");
    512   hidden.insert("unselect-atom-by-id");
    513   hidden.insert("unselect-molecule-by-id");
    514530}
    515531
     
    790806  new ParserSaveXyzAction();
    791807
     808  new SelectionAllAtomsAction();
     809  new SelectionAllMoleculesAction();
    792810  new SelectionAtomByIdAction();
    793811  new SelectionMoleculeByIdAction();
     812  new SelectionNotAllAtomsAction();
     813  new SelectionNotAllMoleculesAction();
    794814  new SelectionNotAtomByIdAction();
    795815  new SelectionNotMoleculeByIdAction();
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