Changeset be21fa for src/Actions/SelectionAction/Atoms
- Timestamp:
- Apr 11, 2012, 4:53:04 PM (13 years ago)
- 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:
- b2c302
- Parents:
- 3e93332
- git-author:
- Frederik Heber <heber@…> (04/11/12 16:18:23)
- git-committer:
- Frederik Heber <heber@…> (04/11/12 16:53:04)
- Location:
- src/Actions/SelectionAction/Atoms
- Files:
-
- 16 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/SelectionAction/Atoms/AllAtomsAction.cpp
r3e93332 rbe21fa 39 39 /** =========== define the function ====================== */ 40 40 Action::state_ptr SelectionAllAtomsAction::performCall() { 41 // obtain information42 getParametersfromValueStorage();43 44 41 std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms(); 45 42 LOG(1, "Selecting all atoms."); -
src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp
r3e93332 rbe21fa 47 47 RealSpaceMatrix RotationMatrix; 48 48 49 // obtain information50 getParametersfromValueStorage();51 52 49 RotationMatrix.setRotation(params.Xangle, params.Yangle, params.Zangle); 53 50 -
src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp
r3e93332 rbe21fa 44 44 /** =========== define the function ====================== */ 45 45 Action::state_ptr SelectionAllAtomsInsideSphereAction::performCall() { 46 // obtain information47 getParametersfromValueStorage();48 49 46 LOG(1, "Selecting all atoms inside a sphere at " << params.position << " with radius " << params.radius << "."); 50 47 Shape s = translate(resize(Sphere(),params.radius),params.position); -
src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp
r3e93332 rbe21fa 41 41 /** =========== define the function ====================== */ 42 42 Action::state_ptr SelectionAllAtomsOfMoleculeAction::performCall() { 43 // obtain information44 getParametersfromValueStorage();45 46 43 LOG(1, "Selecting all atoms of currently selected molecule."); 47 44 std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection()); -
src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp
r3e93332 rbe21fa 41 41 /** =========== define the function ====================== */ 42 42 Action::state_ptr SelectionAtomByElementAction::performCall() { 43 // obtain information44 getParametersfromValueStorage();45 46 43 LOG(1, "Selecting atoms of type " << *params.elemental); 47 44 std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection()); -
src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp
r3e93332 rbe21fa 38 38 /** =========== define the function ====================== */ 39 39 Action::state_ptr SelectionAtomByIdAction::performCall() { 40 // obtain information41 getParametersfromValueStorage();42 43 40 const atom *Walker = World::getInstance().getAtom(AtomById(params.WalkerId)); 44 41 if (Walker != NULL) { -
src/Actions/SelectionAction/Atoms/AtomByOrderAction.cpp
r3e93332 rbe21fa 39 39 /** =========== define the function ====================== */ 40 40 Action::state_ptr SelectionAtomByOrderAction::performCall() { 41 // obtain information42 getParametersfromValueStorage();43 44 41 const atom *Walker = World::getInstance().getAtom(AtomByOrder(params.order)); 45 42 if (Walker != NULL) { -
src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.cpp
r3e93332 rbe21fa 39 39 /** =========== define the function ====================== */ 40 40 Action::state_ptr SelectionClearAllAtomsAction::performCall() { 41 // obtain information42 getParametersfromValueStorage();43 44 41 std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms(); 45 42 LOG(1, "Clearing atoms selection."); -
src/Actions/SelectionAction/Atoms/InvertAtomsAction.cpp
r3e93332 rbe21fa 40 40 /** =========== define the function ====================== */ 41 41 Action::state_ptr SelectionInvertAtomsAction::performCall() { 42 // obtain information43 getParametersfromValueStorage();44 45 42 LOG(1, "Inverting atom selection."); 46 43 -
src/Actions/SelectionAction/Atoms/NotAllAtomsAction.cpp
r3e93332 rbe21fa 39 39 /** =========== define the function ====================== */ 40 40 Action::state_ptr SelectionNotAllAtomsAction::performCall() { 41 // obtain information42 getParametersfromValueStorage();43 44 41 std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms(); 45 42 LOG(1, "Unselecting all atoms."); -
src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp
r3e93332 rbe21fa 46 46 Action::state_ptr SelectionNotAllAtomsInsideCuboidAction::performCall() { 47 47 RealSpaceMatrix RotationMatrix; 48 49 // obtain information50 getParametersfromValueStorage();51 48 RotationMatrix.setRotation(params.Xangle, params.Yangle, params.Zangle); 52 49 -
src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp
r3e93332 rbe21fa 44 44 /** =========== define the function ====================== */ 45 45 Action::state_ptr SelectionNotAllAtomsInsideSphereAction::performCall() { 46 // obtain information47 getParametersfromValueStorage();48 49 46 LOG(1, "Unselecting all atoms inside a sphere at " << params.position << " with radius " << params.radius << "."); 50 47 Shape s = translate(resize(Sphere(),params.radius),params.position); -
src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp
r3e93332 rbe21fa 41 41 /** =========== define the function ====================== */ 42 42 Action::state_ptr SelectionNotAllAtomsOfMoleculeAction::performCall() { 43 // obtain information44 getParametersfromValueStorage();45 46 43 LOG(1, "Unselecting all atoms of currently selected molecules."); 47 44 std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms(!AtomsBySelection()); -
src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp
r3e93332 rbe21fa 41 41 /** =========== define the function ====================== */ 42 42 Action::state_ptr SelectionNotAtomByElementAction::performCall() { 43 // obtain information44 getParametersfromValueStorage();45 46 43 LOG(1, "Unselecting atoms of type " << *params.elemental); 47 44 std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms(!AtomsBySelection()); -
src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp
r3e93332 rbe21fa 38 38 /** =========== define the function ====================== */ 39 39 Action::state_ptr SelectionNotAtomByIdAction::performCall() { 40 // obtain information41 getParametersfromValueStorage();42 43 40 const atom * Walker = World::getInstance().getAtom(AtomById(params.WalkerId)); 44 41 if (Walker != NULL) { -
src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp
r3e93332 rbe21fa 39 39 /** =========== define the function ====================== */ 40 40 Action::state_ptr SelectionNotAtomByOrderAction::performCall() { 41 // obtain information42 getParametersfromValueStorage();43 44 41 const atom * Walker = World::getInstance().getAtom(AtomByOrder(params.order)); 45 42 if (Walker != NULL) {
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