source: src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.cpp@ abae35

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 abae35 was 47d041, checked in by Frederik Heber <heber@…>, 13 years ago

HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and ELOG().

  • Replaced DoLog(.) && (Log() << Verbose(.) << ... << std::endl) by Log(., ...).
  • Replaced Log() << Verbose(.) << .. << by Log(., ...)
  • on multiline used stringstream to generate and message which was finally used in LOG(., output.str())
  • there should be no more occurence of Log(). LOG() and ELOG() must be used instead.
  • Eventually, this will allow for storing all errors and re-printing them on program exit which would be very helpful to ascertain error-free runs for the user.
  • Property mode set to 100644
File size: 2.2 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 * MoleculeByOrderAction.cpp
10 *
11 * Created on: May 12, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include "molecule.hpp"
23#include "CodePatterns/Log.hpp"
24#include "CodePatterns/Verbose.hpp"
25#include "Descriptors/MoleculeOrderDescriptor.hpp"
26#include "World.hpp"
27
28#include <iostream>
29#include <string>
30
31#include "MoleculeByOrderAction.hpp"
32
33using namespace MoleCuilder;
34
35// and construct the stuff
36#include "MoleculeByOrderAction.def"
37#include "Action_impl_pre.hpp"
38/** =========== define the function ====================== */
39
40Action::state_ptr SelectionMoleculeByOrderAction::performCall() {
41 // obtain information
42 getParametersfromValueStorage();
43
44 molecule *mol = World::getInstance().getMolecule(MoleculeByOrder(params.molindex));
45
46 if (mol != NULL) {
47 if (!World::getInstance().isSelected(mol)) {
48 LOG(1, "Selecting molecule " << mol->name);
49 World::getInstance().selectMolecule(mol);
50 LOG(0, World::getInstance().countSelectedMolecules() << " molecules selected.");
51 return Action::state_ptr(new SelectionMoleculeByOrderState(mol, params));
52 } else {
53 return Action::success;
54 }
55 } else {
56 return Action::failure;
57 }
58}
59
60Action::state_ptr SelectionMoleculeByOrderAction::performUndo(Action::state_ptr _state) {
61 SelectionMoleculeByOrderState *state = assert_cast<SelectionMoleculeByOrderState*>(_state.get());
62
63 World::getInstance().unselectMolecule(state->mol);
64 return Action::state_ptr(_state);
65}
66
67Action::state_ptr SelectionMoleculeByOrderAction::performRedo(Action::state_ptr _state){
68 SelectionMoleculeByOrderState *state = assert_cast<SelectionMoleculeByOrderState*>(_state.get());
69
70 World::getInstance().selectMolecule(state->mol);
71 return Action::state_ptr(_state);
72}
73
74bool SelectionMoleculeByOrderAction::canUndo() {
75 return true;
76}
77
78bool SelectionMoleculeByOrderAction::shouldUndo() {
79 return true;
80}
81/** =========== end of function ====================== */
Note: See TracBrowser for help on using the repository browser.