Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
Last change
on this file since ac9dc8 was 9eb71b3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes with various allocation operators that use a specific
placement in memory. It is so far not possible to wrap new/delete fully.
Hence, we stop this effort which so far has forced us to put ever more
includes (with clashes) into MemDebug and thereby bloat compilation time.
- MemDebug does not add that much usefulness which is not also provided by
valgrind.
|
-
Property mode
set to
100644
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File size:
1.9 KB
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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) 2010-2012 University of Bonn. All rights reserved.
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5 | *
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6 | *
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7 | * This file is part of MoleCuilder.
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8 | *
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9 | * MoleCuilder is free software: you can redistribute it and/or modify
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10 | * it under the terms of the GNU General Public License as published by
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11 | * the Free Software Foundation, either version 2 of the License, or
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12 | * (at your option) any later version.
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13 | *
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14 | * MoleCuilder is distributed in the hope that it will be useful,
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15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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17 | * GNU General Public License for more details.
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18 | *
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19 | * You should have received a copy of the GNU General Public License
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20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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21 | */
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22 |
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23 | /*
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24 | * atom_particleinfo.cpp
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25 | *
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26 | * Created on: Oct 19, 2009
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27 | * Author: heber
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28 | */
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29 |
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30 | // include config.h
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31 | #ifdef HAVE_CONFIG_H
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32 | #include <config.h>
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33 | #endif
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34 |
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35 | //#include "CodePatterns/MemDebug.hpp"
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36 |
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37 | #include "atom_particleinfo.hpp"
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38 |
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39 | #include <iostream>
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40 |
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41 | /** Constructor of ParticleInfo.
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42 | */
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43 | ParticleInfo::ParticleInfo() :
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44 | Nr(-1),
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45 | name("Unknown")
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46 | {};
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47 |
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48 | ParticleInfo::ParticleInfo(const ParticleInfo &pointer) :
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49 | Nr(pointer.Nr),
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50 | name(pointer.name)
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51 | {}
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52 |
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53 |
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54 | /** Destructor of ParticleInfo.
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55 | */
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56 | ParticleInfo::~ParticleInfo()
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57 | {};
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58 |
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59 | const string& ParticleInfo::getName() const{
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60 | return name;
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61 | }
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62 |
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63 | void ParticleInfo::setName(const string& _name){
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64 | OBSERVE;
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65 | NOTIFY(AtomObservable::NameChanged);
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66 | name = _name;
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67 | }
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68 |
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69 | ostream & operator << (ostream &ost, const ParticleInfo &a)
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70 | {
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71 | ost << a.getName();
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72 | return ost;
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73 | };
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74 |
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75 | const int& ParticleInfo::getNr() const
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76 | {
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77 | return Nr;
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78 | }
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79 |
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80 | void ParticleInfo::setNr(const int newnr)
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81 | {
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82 | Nr = newnr;
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83 | }
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84 |
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85 | ostream & ParticleInfo::operator << (ostream &ost) const
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86 | {
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87 | ost << getName();
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88 | return ost;
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89 | };
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90 |
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