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:
1.0 KB
|
| Line | |
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| 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
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| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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| 8 | /*
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| 9 | * FragmentJob.cpp
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| 10 | *
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| 11 | * Created on: Oct 19, 2011
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 15 | // include config.h
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| 16 | #ifdef HAVE_CONFIG_H
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| 17 | #include <config.h>
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| 18 | #endif
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| 19 |
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| 20 | #include "CodePatterns/MemDebug.hpp"
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| 21 |
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| 22 | #include "FragmentJob.hpp"
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| 23 | #include "Results/FragmentResult.hpp"
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| 24 |
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| 25 | /** Constructor for class FragmentJob.
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| 26 | *
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| 27 | */
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| 28 | FragmentJob::FragmentJob() :
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| 29 | JobId(JobId::IllegalJob)
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| 30 | {}
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| 31 |
|
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| 32 | /** Constructor for class FragmentJob.
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| 33 | *
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| 34 | * \param _JobId unique id of this job
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| 35 | */
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| 36 | FragmentJob::FragmentJob(const JobId_t _JobId) :
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| 37 | JobId(_JobId)
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| 38 | {}
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| 39 |
|
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| 40 | /** Destructor for class FragmentJob.
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| 41 | *
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| 42 | */
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| 43 | FragmentJob::~FragmentJob()
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| 44 | {}
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| 45 |
|
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| 46 | /** Comparator for class FragmentJob.
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| 47 | * \param other instance to compare to
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| 48 | * \return every member variable is the same, else - is not
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| 49 | */
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| 50 | bool FragmentJob::operator==(const FragmentJob &other) const
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| 51 | {
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| 52 | return (getId() == other.getId());
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| 53 | }
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