source: src/Actions/AtomAction/AddAction.cpp@ 57f243

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 57f243 was 57f243, checked in by Frederik Heber <heber@…>, 14 years ago

Created libMolecuilderLinearAlgebra.

  • is shared.
  • contains the following classes: Line, Plane, Space, Vector, Matrix, gslvector, gslmatrix, linearsystemofequations
  • had to change include path almost everywhere
  • change linkin in src/ and src/unittests/Makefile.am
  • Property mode set to 100644
File size: 2.6 KB
Line 
1/*
2 * AddAction.cpp
3 *
4 * Created on: May 9, 2010
5 * Author: heber
6 */
7
8#include "Helpers/MemDebug.hpp"
9
10#include "Actions/AtomAction/AddAction.hpp"
11#include "Actions/ActionRegistry.hpp"
12#include "atom.hpp"
13#include "element.hpp"
14#include "log.hpp"
15#include "molecule.hpp"
16#include "LinearAlgebra/Vector.hpp"
17#include "verbose.hpp"
18#include "World.hpp"
19
20#include <iostream>
21#include <string>
22
23using namespace std;
24
25#include "UIElements/UIFactory.hpp"
26#include "UIElements/Dialog.hpp"
27#include "Actions/ValueStorage.hpp"
28
29const char AtomAddAction::NAME[] = "add-atom";
30
31AtomAddAction::AtomAddAction() :
32 Action(NAME)
33{}
34
35AtomAddAction::~AtomAddAction()
36{}
37
38void AtomAdd(element *elemental, Vector &position) {
39 ValueStorage::getInstance().setCurrentValue(AtomAddAction::NAME, elemental);
40 ValueStorage::getInstance().setCurrentValue("position", elemental);
41 ActionRegistry::getInstance().getActionByName(AtomAddAction::NAME)->call(Action::NonInteractive);
42};
43
44Dialog * AtomAddAction::fillDialog(Dialog *dialog) {
45 ASSERT(dialog,"No Dialog given when filling action dialog");
46
47 dialog->queryElement(NAME, ValueStorage::getInstance().getDescription(NAME));
48 dialog->queryVector("position", true, ValueStorage::getInstance().getDescription("position"));
49
50 return dialog;
51}
52
53Action::state_ptr AtomAddAction::performCall() {
54 element * elemental = NULL;
55 Vector position;
56
57 // obtain information
58 ValueStorage::getInstance().queryCurrentValue(NAME, elemental);
59 ValueStorage::getInstance().queryCurrentValue("position", position);
60
61 // execute action
62 atom * first = World::getInstance().createAtom();
63 first->type = elemental;
64 first->x = position;
65 DoLog(1) && (Log() << Verbose(1) << "Adding new atom with element " << first->type->name << " at " << (first->x) << "." << endl);
66 // TODO: remove when all of World's atoms are stored.
67 std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
68 if (!molecules.empty()) {
69 std::vector<molecule *>::iterator iter = molecules.begin();
70 (*iter)->AddAtom(first);
71 }
72 return Action::success;
73}
74
75Action::state_ptr AtomAddAction::performUndo(Action::state_ptr _state) {
76// ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
77
78 return Action::failure;
79// string newName = state->mol->getName();
80// state->mol->setName(state->lastName);
81//
82// return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
83}
84
85Action::state_ptr AtomAddAction::performRedo(Action::state_ptr _state){
86 return Action::failure;
87}
88
89bool AtomAddAction::canUndo() {
90 return false;
91}
92
93bool AtomAddAction::shouldUndo() {
94 return false;
95}
96
97const string AtomAddAction::getName() {
98 return NAME;
99}
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