Molecular Dynamics Simulation
1.0
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Class to run a simulation. More...
#include <Simulation.h>
Public Member Functions | |
Simulation (const std::vector< Particle > &particles, const SimulationParams ¶ms, IntegrationMethod integration_method=IntegrationMethod::VERLET) | |
Construct a new Simulation object and initialize all the necessary components. More... | |
~Simulation () | |
SimulationOverview | runSimulation () |
Runs the simulation, using the parameters given at construction and returns a SimulationOverview object containing some data. More... | |
Private Attributes | |
const SimulationParams & | params |
Reference to the simulation parameters object. More... | |
std::unique_ptr< ParticleContainer > | particle_container |
Reference to the ParticleContainer on whose content the simulation is performed. More... | |
std::unique_ptr< IntegrationFunctor > | integration_functor |
Functor used to integrate the particles. More... | |
Friends | |
class | ProgressBarInterceptor |
class | FrameWriterInterceptor |
class | TemperatureSensorInterceptor |
class | ThermostatInterceptor |
class | ParticleUpdateCounterInterceptor |
class | RadialDistributionFunctionInterceptor |
class | DiffusionFunctionInterceptor |
class | VelocityProfileInterceptor |
Class to run a simulation.
This class collects all the components needed to run a simulation, and provides a method to run it.
Definition at line 20 of file Simulation.h.
Simulation::Simulation | ( | const std::vector< Particle > & | particles, |
const SimulationParams & | params, | ||
IntegrationMethod | integration_method = IntegrationMethod::VERLET |
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Construct a new Simulation object and initialize all the necessary components.
particles | Reference to the ParticleContainer on whose content the simulation is performed |
params | Parameters for the simulation. See the class SimulationParams for more information |
integration_method | The integration method to use for the simulation (Default: IntegrationMethod::VERLET ) |
Definition at line 21 of file Simulation.cpp.
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default |
SimulationOverview Simulation::runSimulation | ( | ) |
Runs the simulation, using the parameters given at construction and returns a SimulationOverview
object containing some data.
Definition at line 43 of file Simulation.cpp.
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friend |
Definition at line 66 of file Simulation.h.
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friend |
Definition at line 61 of file Simulation.h.
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friend |
Definition at line 64 of file Simulation.h.
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friend |
Befriend the interceptors to allow them to access the private members of this class
Definition at line 60 of file Simulation.h.
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friend |
Definition at line 65 of file Simulation.h.
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friend |
Definition at line 62 of file Simulation.h.
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friend |
Definition at line 63 of file Simulation.h.
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friend |
Definition at line 67 of file Simulation.h.
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private |
Functor used to integrate the particles.
Definition at line 55 of file Simulation.h.
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private |
Reference to the simulation parameters object.
Definition at line 45 of file Simulation.h.
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private |
Reference to the ParticleContainer
on whose content the simulation is performed.
Definition at line 50 of file Simulation.h.