source: src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp@ 53d01c

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 53d01c was 0b2ce9, checked in by Frederik Heber <heber@…>, 14 years ago

Implemented macros for automatically generating repetitive stuff around Actions.

The idea is that only the following items have to be provided for by the user

  • parameters (i.e. for each the following tupel: type, token and reference)
  • perform...(), ...Undo(), ...

Therefore, we have three new files:

  • Action_impl_header.hpp: Is for the declarations in the header
  • Action_impl_pre.hpp: Is before definition of functions
  • Action_impl_post.hpp: is after definition of functions (cleanup)

Changes:
  • Property mode set to 100644
File size: 1007 bytes
Line 
1/*
2 * RotateToPrincipalAxisSystemAction.hpp
3 *
4 * Created on: May 10, 2010
5 * Author: heber
6 */
7
8#ifndef ROTATETOPRINCIPALAXISSYSTEMACTION_HPP
9#define ROTATETOPRINCIPALAXISSYSTEMACTION_HPP
10
11#include "Actions/Action.hpp"
12
13class MoleculeListClass;
14class Vector;
15
16void MoleculeRotateToPrincipalAxisSystem(Vector &Axis);
17
18class MoleculeRotateToPrincipalAxisSystemAction : public Action {
19 friend void MoleculeRotateToPrincipalAxisSystem(Vector &Axis);
20
21public:
22 MoleculeRotateToPrincipalAxisSystemAction();
23 virtual ~MoleculeRotateToPrincipalAxisSystemAction();
24
25 bool canUndo();
26 bool shouldUndo();
27
28 virtual const std::string getName();
29protected:
30 virtual Dialog * fillDialog(Dialog *dialog);
31private:
32 virtual void getParametersfromValueStorage();
33 virtual Action::state_ptr performCall();
34 virtual Action::state_ptr performUndo(Action::state_ptr);
35 virtual Action::state_ptr performRedo(Action::state_ptr);
36
37 static const char NAME[];
38};
39
40
41#endif // ROTATETOPRINCIPALAXISSYSTEMACTION_HPP
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