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 aec098 was d920b9, checked in by Frederik Heber <heber@…>, 13 years ago |
Abstracted FragmentJob and introduced SystemCommandJob which has its former functionality.
- FragmentJob now has just virtual function Work(), not implemented.
- former command and outputfile is taken over by SystemCommandJob.
- a FragmentJob or derived class is default cstor'ed always with
JobId::IllegalJob.
- so far SystemCommandJob captures command's stdout and parses it back from
file. We use mkstemps() for creating a random file and popen() to pipe stdout
directly. For this we require boost::iostreams and ::filesystem.
- SystemCommandJob has virtual method extractString() to be adaptable to the
output of various system commands.
- changes almost everywhere due to SystemCommandJob taking place of
FragmentJob and FragmentJob::ptr and FragmentResult::ptr requirements.
- added FragmentWorker::dummyInit() to enforce binding of the executable to
all possible derived FragmentJob's.
- added unit test for SystemCommandJob.
- added FragmentJobStub that implements a no-brainer job for testing.
- NOTE: boost::iostreams is incompatible with MemDebug due to placement new.
|
-
Property mode
set to
100644
|
File size:
1.6 KB
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Rev | Line | |
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[31ca5f] | 1 | /*
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| 2 | * FragmentJob.hpp
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| 3 | *
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| 4 | * Created on: Oct 19, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef FRAGMENTJOB_HPP_
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| 9 | #define FRAGMENTJOB_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 | #include <string>
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| 17 |
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[78ad7d] | 18 | #include "boost/shared_ptr.hpp"
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| 19 | #include "boost/serialization/access.hpp"
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| 20 | #include "boost/serialization/shared_ptr.hpp"
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[31ca5f] | 21 |
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[7670865] | 22 | #include "Results/FragmentResult.hpp"
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[b05673] | 23 | #include "JobId.hpp"
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[4b58cc] | 24 | #include "types.hpp"
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| 25 |
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[57876b] | 26 | class FragmentJobTest;
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| 27 | class FragmentQueueTest;
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[8c9596] | 28 | class FragmentWorker;
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[31ca5f] | 29 |
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| 30 | /** FragmentJob contains all information for the Worker to start the job and
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| 31 | * deliver a FragmentResult.
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| 32 | *
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| 33 | * Important is that this class is fully serializable such that it can be
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| 34 | * transfered to a scheduler (server) and be deserialized by the Worker.
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| 35 | */
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[b05673] | 36 | class FragmentJob : public JobId
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[31ca5f] | 37 | {
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[57876b] | 38 | //!> allow FragmentQueue unit test access
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[02f346] | 39 | friend class FragmentQueueTest;
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[57876b] | 40 | //!> allow own unit test access
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| 41 | friend class FragmentJobTest;
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[31ca5f] | 42 | public:
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[78ad7d] | 43 | typedef boost::shared_ptr<FragmentJob> ptr;
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| 44 |
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[d920b9] | 45 | FragmentJob(const JobId_t _JobId);
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[31ca5f] | 46 | ~FragmentJob();
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| 47 |
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[d920b9] | 48 | virtual FragmentResult::ptr Work() = 0;
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[7b22e9] | 49 |
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[31ca5f] | 50 | bool operator==(const FragmentJob &other) const;
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| 51 |
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| 52 | bool operator!=(const FragmentJob &other) const {
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| 53 | return !(*this == other);
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| 54 | }
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| 55 |
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| 56 | private:
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[d920b9] | 57 | /** private default cstor for serialization only
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| 58 | *
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| 59 | * Use normal cstor with JobId::IllegalJob if you want to instantiate
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| 60 | * a job without id.
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| 61 | */
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| 62 | FragmentJob();
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| 63 |
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[31ca5f] | 64 | friend class boost::serialization::access;
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| 65 | // serialization
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| 66 | template <typename Archive>
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| 67 | void serialize(Archive& ar, const unsigned int version)
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| 68 | {
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[b05673] | 69 | ar & boost::serialization::base_object<JobId>(*this);
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[31ca5f] | 70 | }
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| 71 | };
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| 72 |
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| 73 |
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| 74 | #endif /* FRAGMENTJOB_HPP_ */
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