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 aa4b2d was aa4b2d, checked in by Frederik Heber <heber@…>, 14 years ago |
All (Un)SelectionActions now state how many atoms or molecules (remain) selected.
|
-
Property mode
set to
100644
|
File size:
2.1 KB
|
Rev | Line | |
---|
[bcf653] | 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 |
|
---|
[e2009b] | 8 | /*
|
---|
[521bbf] | 9 | * AtomByIdAction.cpp
|
---|
[e2009b] | 10 | *
|
---|
| 11 | * Created on: May 12, 2010
|
---|
| 12 | * Author: heber
|
---|
| 13 | */
|
---|
| 14 |
|
---|
[bf3817] | 15 | // include config.h
|
---|
| 16 | #ifdef HAVE_CONFIG_H
|
---|
| 17 | #include <config.h>
|
---|
| 18 | #endif
|
---|
| 19 |
|
---|
[ad011c] | 20 | #include "CodePatterns/MemDebug.hpp"
|
---|
[e2009b] | 21 |
|
---|
| 22 | #include "atom.hpp"
|
---|
[ad011c] | 23 | #include "CodePatterns/Log.hpp"
|
---|
| 24 | #include "CodePatterns/Verbose.hpp"
|
---|
[e2009b] | 25 | #include "World.hpp"
|
---|
| 26 |
|
---|
| 27 | #include <iostream>
|
---|
| 28 | #include <string>
|
---|
| 29 |
|
---|
| 30 | using namespace std;
|
---|
| 31 |
|
---|
[125002] | 32 | #include "AtomByIdAction.hpp"
|
---|
[533838] | 33 |
|
---|
[1fd675] | 34 | // and construct the stuff
|
---|
| 35 | #include "AtomByIdAction.def"
|
---|
| 36 | #include "Action_impl_pre.hpp"
|
---|
| 37 | /** =========== define the function ====================== */
|
---|
[533838] | 38 | Action::state_ptr SelectionAtomByIdAction::performCall() {
|
---|
[1fd675] | 39 | // obtain information
|
---|
| 40 | getParametersfromValueStorage();
|
---|
[e2009b] | 41 |
|
---|
[92d756] | 42 | if (params.Walker != NULL) {
|
---|
| 43 | if (!World::getInstance().isSelected(params.Walker)) {
|
---|
| 44 | DoLog(1) && (Log() << Verbose(1) << "Selecting atom " << *params.Walker << endl);
|
---|
| 45 | World::getInstance().selectAtom(params.Walker);
|
---|
[aa4b2d] | 46 | DoLog(0) && (Log() << Verbose(0) << World::getInstance().countSelectedAtoms() << " atoms selected." << endl);
|
---|
[92d756] | 47 | return Action::state_ptr(new SelectionAtomByIdState(params));
|
---|
| 48 | } else {
|
---|
| 49 | return Action::success;
|
---|
| 50 | }
|
---|
[e2009b] | 51 | } else {
|
---|
[92d756] | 52 | return Action::failure;
|
---|
[e2009b] | 53 | }
|
---|
| 54 | }
|
---|
| 55 |
|
---|
| 56 | Action::state_ptr SelectionAtomByIdAction::performUndo(Action::state_ptr _state) {
|
---|
| 57 | SelectionAtomByIdState *state = assert_cast<SelectionAtomByIdState*>(_state.get());
|
---|
| 58 |
|
---|
[92d756] | 59 | World::getInstance().unselectAtom(state->params.Walker);
|
---|
[e2009b] | 60 |
|
---|
[1fd675] | 61 | return Action::state_ptr(_state);
|
---|
[e2009b] | 62 | }
|
---|
| 63 |
|
---|
| 64 | Action::state_ptr SelectionAtomByIdAction::performRedo(Action::state_ptr _state){
|
---|
| 65 | SelectionAtomByIdState *state = assert_cast<SelectionAtomByIdState*>(_state.get());
|
---|
| 66 |
|
---|
[92d756] | 67 | World::getInstance().selectAtom(state->params.Walker);
|
---|
[e2009b] | 68 |
|
---|
[1fd675] | 69 | return Action::state_ptr(_state);
|
---|
[e2009b] | 70 | }
|
---|
| 71 |
|
---|
| 72 | bool SelectionAtomByIdAction::canUndo() {
|
---|
| 73 | return true;
|
---|
| 74 | }
|
---|
| 75 |
|
---|
| 76 | bool SelectionAtomByIdAction::shouldUndo() {
|
---|
| 77 | return true;
|
---|
| 78 | }
|
---|
[1fd675] | 79 | /** =========== end of function ====================== */
|
---|
Note:
See
TracBrowser
for help on using the repository browser.