source: src/Fragmentation/Automation/FragmentJob.cpp@ 7b22e9

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 7b22e9 was 7b22e9, checked in by Frederik Heber <heber@…>, 13 years ago

FragmentJob now contains Work() function.

  • also unit tests are now linked only against boost libs they really need.
  • Property mode set to 100644
File size: 2.1 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * FragmentJob.cpp
10 *
11 * Created on: Oct 19, 2011
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20// boost asio needs specific operator new
21#include <boost/asio.hpp>
22#include <boost/date_time/posix_time/posix_time.hpp>
23
24#include "CodePatterns/MemDebug.hpp"
25
26#include "CodePatterns/Info.hpp"
27#include "CodePatterns/Log.hpp"
28#include "CodePatterns/toString.hpp"
29#include "FragmentJob.hpp"
30#include "FragmentResult.hpp"
31
32/** Constructor for class FragmentJob.
33 *
34 */
35FragmentJob::FragmentJob() :
36 JobId(-1),
37 outputfile("")
38{}
39
40/** Constructor for class FragmentJob.
41 *
42 * \param _outputfile configuration file for solver
43 * \param _JobId unique id of this job
44 */
45FragmentJob::FragmentJob(const std::string &_outputfile, const JobId_t _JobId) :
46 JobId(_JobId),
47 outputfile(_outputfile)
48{}
49
50/** Destructor for class FragmentJob.
51 *
52 */
53FragmentJob::~FragmentJob()
54{}
55
56/** Work routine of this FragmentJob.
57 *
58 * This function encapsulates all the work that has to be done to generate
59 * a FragmentResult. Hence, the FragmentWorker does not need to know anything
60 * about the operation: it just receives it and executes this function.
61 *
62 * \return result of this job
63 */
64FragmentResult FragmentJob::Work()
65{
66 Info info((std::string(__FUNCTION__)+std::string(", id #")+toString(getId())).c_str());
67 FragmentResult s(getId());
68
69 boost::asio::io_service io;
70 boost::asio::deadline_timer t(io, boost::posix_time::seconds(1));
71 LOG(1, "INFO: Deadline timer will now wait for 1 seconds.");
72 t.wait();
73 LOG(1, "INFO: Deadline timer is done.");
74
75 return s;
76}
77
78/** Comparator for class FragmentJob.
79 * \param other instance to compare to
80 * \return every member variable is the same, else - is not
81 */
82bool FragmentJob::operator==(const FragmentJob &other) const
83{
84 return (outputfile == other.outputfile) && (getId() == other.getId());
85}
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