Action_Thermostats
Add_AtomRandomPerturbation
Add_FitFragmentPartialChargesAction
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.5.4
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
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChargeSampling_PBC
Fix_ChronosMutex
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ForceAnnealing
Fix_IndependentFragmentGrids
Fix_ParseParticles
Fix_ParseParticles_split_forward_backward_Actions
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
Fixes
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
IndependentFragmentGrids_IndividualZeroInstances
IndependentFragmentGrids_IntegrationTest
IndependentFragmentGrids_Sole_NN_Calculation
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
SaturateAtoms_findBestMatching
SaturateAtoms_singleDegree
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TrajectoryDependenant_MaxOrder
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Line | |
---|
1 | /*
|
---|
2 | * ParticleFactory.hpp
|
---|
3 | *
|
---|
4 | * Created on: Feb 27, 2016
|
---|
5 | * Author: heber
|
---|
6 | */
|
---|
7 |
|
---|
8 |
|
---|
9 | #ifndef PARTICLEFACTORY_HPP_
|
---|
10 | #define PARTICLEFACTORY_HPP_
|
---|
11 |
|
---|
12 | // include config.h
|
---|
13 | #ifdef HAVE_CONFIG_H
|
---|
14 | #include <config.h>
|
---|
15 | #endif
|
---|
16 |
|
---|
17 | #include <string>
|
---|
18 |
|
---|
19 | #include "CodePatterns/Singleton.hpp"
|
---|
20 |
|
---|
21 | #include "Potentials/Particles/Particle.hpp"
|
---|
22 | #include "Potentials/Particles/StreamFactory_Particle.hpp"
|
---|
23 | #include "types.hpp"
|
---|
24 |
|
---|
25 | class ParticleFactory :
|
---|
26 | public Singleton<ParticleFactory>,
|
---|
27 | public StreamFactory<Particle>
|
---|
28 | {
|
---|
29 | //!> make Singleton template friend
|
---|
30 | friend class Singleton<ParticleFactory>;
|
---|
31 |
|
---|
32 | protected:
|
---|
33 |
|
---|
34 | /** Implementing function for constructing default particle, required for
|
---|
35 | * StreamFactory specialization.
|
---|
36 | *
|
---|
37 | * \return default constructed particle
|
---|
38 | */
|
---|
39 | virtual Particle* getDefaultParticle() const;
|
---|
40 |
|
---|
41 | public:
|
---|
42 |
|
---|
43 | /** Static function to create a single particle instance.
|
---|
44 | *
|
---|
45 | * \param _type this is not needed for particles
|
---|
46 | * \param _input stream from which to take parameters to instantiate
|
---|
47 | */
|
---|
48 | Particle * createInstance(
|
---|
49 | const std::string &,
|
---|
50 | std::istream &_input) const;
|
---|
51 |
|
---|
52 | /** Static function to create a single particle instance.
|
---|
53 | *
|
---|
54 | * \param _name name of particle
|
---|
55 | * \param _element represented element
|
---|
56 | * \param _charge (partial) charge of this particle
|
---|
57 | */
|
---|
58 | Particle * createInstance(
|
---|
59 | const std::string &_name,
|
---|
60 | const atomicNumber_t _element,
|
---|
61 | const double _charge) const;
|
---|
62 |
|
---|
63 | private:
|
---|
64 | ParticleFactory () {}
|
---|
65 | virtual ~ParticleFactory () {}
|
---|
66 | };
|
---|
67 |
|
---|
68 | #endif /* PARTICLEFACTORY_HPP_ */
|
---|
Note:
See
TracBrowser
for help on using the repository browser.