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 3839e5 was 5e8e02, checked in by Tillmann Crueger <crueger@…>, 14 years ago |
Repaired broken NO_MEMDEBUG build-path
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Property mode
set to
100644
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File size:
831 bytes
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1 | /*
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2 | * atom_particleinfo.cpp
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3 | *
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4 | * Created on: Oct 19, 2009
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5 | * Author: heber
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6 | */
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7 |
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8 | #include "Helpers/MemDebug.hpp"
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9 |
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10 | #include "atom_particleinfo.hpp"
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11 |
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12 | #include <iostream>
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13 |
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14 | /** Constructor of ParticleInfo.
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15 | */
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16 | ParticleInfo::ParticleInfo() : nr(-1), name("Unknown") {
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17 | };
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18 |
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19 | ParticleInfo::ParticleInfo(ParticleInfo *pointer) :
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20 | nr(pointer->nr),
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21 | name(pointer->name)
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22 | {}
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23 |
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24 |
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25 | /** Destructor of ParticleInfo.
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26 | */
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27 | ParticleInfo::~ParticleInfo()
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28 | {};
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29 |
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30 | const string& ParticleInfo::getName() const{
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31 | return name;
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32 | }
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33 |
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34 | void ParticleInfo::setName(const string& _name){
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35 | name = _name;
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36 | }
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37 |
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38 | ostream & operator << (ostream &ost, const ParticleInfo &a)
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39 | {
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40 | ost << "[" << a.getName() << "|" << &a << "]";
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41 | return ost;
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42 | };
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43 |
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44 | ostream & ParticleInfo::operator << (ostream &ost) const
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45 | {
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46 | ost << "[" << name << "|" << this << "]";
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47 | return ost;
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48 | };
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49 |
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