source: src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp@ a0064e

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
Last change on this file since a0064e was 125002, checked in by Frederik Heber <heber@…>, 14 years ago

Splitted SelectionAction modules into two groups - atoms, molecules - and each into a subfolder.

  • had to adapt includes in all .cpp files as they contained some stupid relative path.
  • This is sensible as there are quite a large amount of SelectionActions and it is hard to discern the ones which select atoms and which select molecules.
  • Property mode set to 100644
File size: 2.5 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * AllAtomsInsideSphereAction.cpp
10 *
11 * Created on: Aug 9, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "Helpers/MemDebug.hpp"
21
22#include "Descriptors/AtomShapeDescriptor.hpp"
23#include "Descriptors/AtomSelectionDescriptor.hpp"
24#include "atom.hpp"
25#include "Helpers/Log.hpp"
26#include "Helpers/Verbose.hpp"
27#include "LinearAlgebra/Vector.hpp"
28#include "Shapes/BaseShapes.hpp"
29#include "Shapes/Shape.hpp"
30#include "Shapes/ShapeOps.hpp"
31#include "World.hpp"
32
33#include <boost/foreach.hpp>
34#include <iostream>
35#include <string>
36
37using namespace std;
38
39#include "AllAtomsInsideSphereAction.hpp"
40
41// and construct the stuff
42#include "AllAtomsInsideSphereAction.def"
43#include "Action_impl_pre.hpp"
44/** =========== define the function ====================== */
45Action::state_ptr SelectionAllAtomsInsideSphereAction::performCall() {
46 // obtain information
47 getParametersfromValueStorage();
48
49 DoLog(1) && (Log() << Verbose(1) << "Selecting all atoms inside a sphere at " << params.position << " with radius " << params.radius << "." << endl);
50 Shape s = translate(resize(Sphere(),params.radius),params.position);
51 std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection() && AtomByShape(s));
52 World::getInstance().selectAllAtoms(AtomByShape(s));
53 return Action::state_ptr(new SelectionAllAtomsInsideSphereState(selectedAtoms, s, params));
54}
55
56Action::state_ptr SelectionAllAtomsInsideSphereAction::performUndo(Action::state_ptr _state) {
57 SelectionAllAtomsInsideSphereState *state = assert_cast<SelectionAllAtomsInsideSphereState*>(_state.get());
58
59 World::getInstance().unselectAllAtoms(AtomByShape(state->s));
60 BOOST_FOREACH(atom *_atom, state->selectedAtoms)
61 World::getInstance().selectAtom(_atom);
62
63 return Action::state_ptr(_state);
64}
65
66Action::state_ptr SelectionAllAtomsInsideSphereAction::performRedo(Action::state_ptr _state){
67 SelectionAllAtomsInsideSphereState *state = assert_cast<SelectionAllAtomsInsideSphereState*>(_state.get());
68
69 World::getInstance().selectAllAtoms(AtomByShape(state->s));
70
71 return Action::state_ptr(_state);
72}
73
74bool SelectionAllAtomsInsideSphereAction::canUndo() {
75 return true;
76}
77
78bool SelectionAllAtomsInsideSphereAction::shouldUndo() {
79 return true;
80}
81/** =========== end of function ====================== */
Note: See TracBrowser for help on using the repository browser.