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 685e28 was 7670865, checked in by Frederik Heber <heber@…>, 13 years ago |
Moved FragmentResult to subfolder Results.
- changed includes and Makefile.am's.
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Property mode
set to
100644
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File size:
2.0 KB
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Rev | Line | |
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[b5ebb5] | 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) 2011 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 | * FragmentResult.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 "FragmentResult.hpp"
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| 23 |
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[2445fb] | 24 | /** Private default Constructor of class FragmentResult.
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| 25 | *
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| 26 | * This cstor is for serialization of this class inside a vector
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| 27 | * only. Without it, we would not need it.
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| 28 | */
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| 29 | FragmentResult::FragmentResult() :
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| 30 | JobId(JobId::NoJob),
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[246d97] | 31 | result(std::string("NoJob")),
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| 32 | exitflag(0)
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[2445fb] | 33 | {}
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| 34 |
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[b5ebb5] | 35 | /** Constructor of class FragmentResult.
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| 36 | *
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[b05673] | 37 | * \param _id id of FragmntJob associated to this FragmentResult.
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[b5ebb5] | 38 | */
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| 39 | FragmentResult::FragmentResult(const JobId_t _id) :
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[b05673] | 40 | JobId(_id),
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[246d97] | 41 | result(std::string("Nothing")),
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| 42 | exitflag(0)
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[b5ebb5] | 43 | {}
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| 44 |
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[a1b77d] | 45 | /** Constructor of class FragmentResult.
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| 46 | */
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| 47 | FragmentResult::FragmentResult(const JobId_t _id, const std::string _result) :
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| 48 | JobId(_id),
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[246d97] | 49 | result(_result),
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| 50 | exitflag(0)
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[a1b77d] | 51 | {}
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| 52 |
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[b5ebb5] | 53 | /** Copy constructor of class FragmentResult.
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| 54 | *
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| 55 | */
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| 56 | FragmentResult::FragmentResult(const FragmentResult &other) :
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[b05673] | 57 | JobId(other.getId()),
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[246d97] | 58 | result(other.result),
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| 59 | exitflag(other.exitflag)
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[b5ebb5] | 60 | {}
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| 61 |
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| 62 | /** Destructor of class FragmentResult.
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| 63 | *
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| 64 | */
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| 65 | FragmentResult::~FragmentResult()
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| 66 | {}
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| 67 |
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[b05673] | 68 | /** Equality operator: Equal if both JobIds are the same
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[b5ebb5] | 69 | *
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| 70 | * \param other instance to check against
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[b05673] | 71 | * \return true - both JobIds are the same, false - JobIds are not the same.
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[b5ebb5] | 72 | */
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| 73 | bool FragmentResult::operator==(const FragmentResult &other) const
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| 74 | {
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[b05673] | 75 | return getId() == other.getId();
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[b5ebb5] | 76 | }
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| 77 |
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| 78 | /** Assigment operator.
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| 79 | *
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[b05673] | 80 | * \note We can't use default assigment because of const member FragmentResult::JobId.
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[b5ebb5] | 81 | *
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| 82 | * \param other instance to make equal to
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| 83 | */
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| 84 | FragmentResult& FragmentResult::operator=(const FragmentResult &other)
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| 85 | {
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| 86 | /// check self-assignment
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| 87 | if (this != &other) {
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[b05673] | 88 | setId(other.getId());
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[b5ebb5] | 89 | result = other.result;
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| 90 | }
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| 91 | return *this;
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| 92 | }
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