source: src/Atom/atom_particleinfo.hpp@ 4464ef

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.
  • Property mode set to 100644
File size: 1.4 KB
Line 
1/*
2 * atom_particleinfo.hpp
3 *
4 * Created on: Oct 19, 2009
5 * Author: heber
6 */
7
8#ifndef ATOM_PARTICLEINFO_HPP_
9#define ATOM_PARTICLEINFO_HPP_
10
11using namespace std;
12
13/*********************************************** includes ***********************************/
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "atom_observable.hpp"
21
22#include <iosfwd>
23#include <string>
24
25/****************************************** forward declarations *****************************/
26
27
28/********************************************** declarations *******************************/
29
30class ParticleInfo : public virtual AtomObservable {
31public:
32 ParticleInfo();
33 ParticleInfo(const ParticleInfo &);
34 virtual ~ParticleInfo();
35
36 /** Getter for name.
37 *
38 * @return name of particle
39 */
40 const std::string& getName() const;
41 /** Getter for Nr.
42 *
43 * @return number of particle
44 */
45 const int& getNr() const;
46 /** Setter for Nr.
47 *
48 * @param newnr number of particle
49 */
50 void setNr(const int newnr);
51 /** Setter for name.
52 *
53 * @param newname new name of particle
54 */
55 void setName(const std::string &newname);
56
57 ostream & operator << (ostream &ost) const;
58
59protected:
60 int Nr; // index to easierly identify, only protected as used in atom::sort
61
62private:
63 std::string name; // some name to reference to on output
64};
65
66ostream & operator << (ostream &ost, const ParticleInfo &a);
67
68#endif /* ATOM_PARTICLEINFO_HPP_ */
Note: See TracBrowser for help on using the repository browser.