source: src/Actions/Calculation.hpp@ 23359f

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 23359f 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: 1.7 KB
Line 
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
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 */
19template<typename T>
20class Calculation : public Process
21{
22public:
23 Calculation(int _maxSteps, std::string _name, bool _doRegister=true);
24 virtual ~Calculation();
25
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 */
31 virtual bool canUndo();
32
33 virtual bool shouldUndo();
34
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 */
40 virtual T operator()();
41
42 /**
43 * Check if a cached result is available.
44 */
45 virtual bool hasResult();
46
47 /**
48 * Get the cached result.
49 * Fails if there is no cached result.
50 */
51 virtual T getResult();
52
53 /**
54 * Delete a previously calculated result from the cache.
55 */
56 virtual void reset();
57
58protected:
59 T* result;
60
61 /**
62 * Pure virtual method for implementation of the actual calculation procedure.
63 */
64 virtual T* doCalc()=0;
65private:
66 virtual void getParametersfromValueStorage();
67 virtual Action::state_ptr performCall();
68 virtual Action::state_ptr performUndo(Action::state_ptr);
69 virtual Action::state_ptr performRedo(Action::state_ptr);
70
71 bool done;
72};
73
74#endif /* CALCULATION_HPP_ */
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