Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
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
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Last change
on this file since 4464ef was ea0c8b, checked in by Frederik Heber <heber@…>, 13 years ago |
FIX: ParticleInfo did use ptr instead of const ref in copy cstor.
- is only used for atom's copy cstor.
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-
Property mode
set to
100644
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File size:
1.4 KB
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1 | /*
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2 | * atom_particleinfo.hpp
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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 | #ifndef ATOM_PARTICLEINFO_HPP_
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9 | #define ATOM_PARTICLEINFO_HPP_
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10 |
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11 | using namespace std;
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12 |
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13 | /*********************************************** includes ***********************************/
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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 "atom_observable.hpp"
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21 |
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22 | #include <iosfwd>
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23 | #include <string>
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24 |
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25 | /****************************************** forward declarations *****************************/
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26 |
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27 |
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28 | /********************************************** declarations *******************************/
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29 |
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30 | class ParticleInfo : public virtual AtomObservable {
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31 | public:
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32 | ParticleInfo();
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33 | ParticleInfo(const ParticleInfo &);
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34 | virtual ~ParticleInfo();
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35 |
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36 | /** Getter for name.
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37 | *
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38 | * @return name of particle
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39 | */
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40 | const std::string& getName() const;
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41 | /** Getter for Nr.
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42 | *
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43 | * @return number of particle
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44 | */
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45 | const int& getNr() const;
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46 | /** Setter for Nr.
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47 | *
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48 | * @param newnr number of particle
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49 | */
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50 | void setNr(const int newnr);
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51 | /** Setter for name.
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52 | *
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53 | * @param newname new name of particle
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54 | */
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55 | void setName(const std::string &newname);
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56 |
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57 | ostream & operator << (ostream &ost) const;
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58 |
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59 | protected:
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60 | int Nr; // index to easierly identify, only protected as used in atom::sort
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61 |
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62 | private:
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63 | std::string name; // some name to reference to on output
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64 | };
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65 |
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66 | ostream & operator << (ostream &ost, const ParticleInfo &a);
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67 |
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68 | #endif /* ATOM_PARTICLEINFO_HPP_ */
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