source: src/Actions/Calculation.hpp@ 8f4df1

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 8f4df1 was 047878, checked in by Tillmann Crueger <crueger@…>, 14 years ago

made all actions pass on the dialogs and add the corresponding queries

  • Property mode set to 100644
File size: 1.7 KB
RevLine 
[7c4e29]1/*
2 * Calculation.hpp
3 *
4 * Created on: Feb 19, 2010
5 * Author: crueger
6 */
7
8#ifndef CALCULATION_HPP_
9#define CALCULATION_HPP_
10
11#include "Actions/Process.hpp"
12
[dbb474]13/**
14 * A calculation is a Process that has some kind of result.
15 *
16 * This class can be used in the same way as any other Action or Process, but has some special methods
17 * for inspecting the result of the calculation.
18 */
[7c4e29]19template<typename T>
[b54ac8]20class Calculation : public Process
[7c4e29]21{
22public:
23 Calculation(int _maxSteps, std::string _name, bool _doRegister=true);
24 virtual ~Calculation();
25
[dbb474]26 /**
27 * Reimplemented call method for Action Base class.
28 * Resets the result and then redoes the calculation. Can be used to retrigger calculations
29 * from menu Items or other places.
30 */
[7c4e29]31 virtual bool canUndo();
32
[67e2b3]33 virtual bool shouldUndo();
34
[dbb474]35 /**
36 * Does the actual calculation and returns the result.
37 * When the calculation has been done before it is not redone, but the previous cached result is returned.
38 * Call reset to delete the cached value.
39 */
[b54ac8]40 virtual T operator()();
[dbb474]41
42 /**
43 * Check if a cached result is available.
44 */
[7c4e29]45 virtual bool hasResult();
[dbb474]46
47 /**
48 * Get the cached result.
49 * Fails if there is no cached result.
50 */
[7c4e29]51 virtual T getResult();
[dbb474]52
53 /**
54 * Delete a previously calculated result from the cache.
55 */
[7c4e29]56 virtual void reset();
57
58protected:
59 T* result;
[dbb474]60
61 /**
62 * Pure virtual method for implementation of the actual calculation procedure.
63 */
[7c4e29]64 virtual T* doCalc()=0;
65private:
[5b0b98]66 virtual Action::state_ptr performCall();
67 virtual Action::state_ptr performUndo(Action::state_ptr);
68 virtual Action::state_ptr performRedo(Action::state_ptr);
[67e2b3]69
[7c4e29]70 bool done;
71};
72
73#endif /* CALCULATION_HPP_ */
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