source: src/Actions/UndoRedoHelpers.hpp@ 42b6de

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 Candidate_v1.7.0 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 42b6de was 57dd40, checked in by Frederik Heber <heber@…>, 14 years ago

Extracted removal and adding of atoms from AtomicInfo to UndoRedoHelpers module.
  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * UndoRedoHelpers.hpp
3 *
4 * Created on: Apr 5, 2012
5 * Author: heber
6 */
7
8#ifndef UNDOREDOHELPERS_HPP_
9#define UNDOREDOHELPERS_HPP_
10
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17#include <vector>
18
19#include "Atom/AtomicInfo.hpp"
20
21namespace MoleCuilder {
22
23 /** Adds removed atoms back to the world whose state is stored as AtomicInfo.
24 *
25 * @param atoms vector of atomicInfo
26 * @return restoral was successful, at least atom could not be restored.
27 */
28 bool AddAtomsFromAtomicInfo(std::vector<AtomicInfo> &atoms);
29
30 /** Removes atoms whose state information is stored as AtomicInfo.
31 *
32 * @param atoms vector of atomicInfo
33 */
34 void RemoveAtomsFromAtomicInfo(std::vector<AtomicInfo> &atoms);
35
36 /** Sets atoms to state information stored as AtomicInfo.
37 *
38 * @param movedatoms vector of atomicInfo
39 */
40 void SetAtomsFromAtomicInfo(std::vector<AtomicInfo> &movedatoms);
41
42 /** Selects all atoms inside the given vector
43 *
44 * @param movedatoms vector of atomicInfo
45 */
46 void SelectAtomsFromAtomicInfo(std::vector<AtomicInfo> &movedatoms);
47
48 /** Sets the atoms whose id is stored in given AtomicInfo in \a movedatoms
49 * to position in \a MovedToVector.
50 *
51 * @param movedatoms atoms whose position to change
52 * @param MovedToVector vector with old positions
53 */
54 void ResetAtomPosition(const std::vector<AtomicInfo> &movedatoms, const std::vector<Vector> &MovedToVector);
55}
56
57
58
59#endif /* UNDOREDOHELPERS_HPP_ */
Note: See TracBrowser for help on using the repository browser.