Class that manages simulation of DPLangevin equation. More...

#include <sim_dplangevin.hpp>

Public Member Functions
	SimDP (const double linear, const double quadratic, const double diffusion, const double noise, const double t_final, const double dx, const double dt, const int random_seed, const GridDimension grid_dimension, const int_vec_t grid_size, const gt_vec_t grid_topologies, const bc_vec_t boundary_conditions, const dbl_vec_t bc_values, const InitialCondition initial_condition, const dbl_vec_t ic_values, const IntegrationMethod integration_method, const bool do_snapshot_grid, const bool do_verbose)
	Constructor.
bool	initialize (int n_decimals)
	Initialize the model simulation.
bool	run (const int n_next_epochs)
	Execute the model simulation for n_next_epochs
bool	postprocess ()
	Process the model results data if available.
int	get_n_epochs () const
	Fetch the total number of simulation epochs.
int	get_i_current_epoch () const
	Fetch the index of the current epoch of the simulation.
int	get_i_next_epoch () const
	Fetch the index of the next epoch of the simulation.
double	get_t_current_epoch () const
	Fetch the current epoch (time) of the simulation.
double	get_t_next_epoch () const
	Fetch the next epoch (time) of the simulation.
py_array_t	get_t_epochs () const
	Fetch a times-series vector of the simulation epochs as a Python array.
py_array_t	get_mean_densities () const
	Fetch a times-series vector of the grid-averaged density field over time as a Python array.
py_array_t	get_density () const
	Fetch the current Langevin density field grid as a Python array.

Private Member Functions
int	count_epochs () const
	Count upcoming number of epochs by running a dummy time-stepping loop.
bool	choose_integrator ()
	Chooses function implementing either Runge-Kutta or Euler integration methods.
bool	integrate (const int n_next_epochs)
	Perform Dornic-type integration of the DP Langevin equation for n_next_epochs
bool	pyprep_t_epochs ()
	Generate a Python-compatible version of the epochs time-series vector.
bool	pyprep_mean_densities ()
	Generate a Python-compatible version of the mean densities time-series vector.
bool	pyprep_density_grid ()
	Generate a Python-compatible version of the current density grid.

Private Attributes
Coefficients	coefficients
	Langevin equation coefficients.
Parameters	p
	Model simulation parameters.
rng_t *	rng
	Random number generation function (Mersenne prime) (pointer to RNG)
DPLangevin *	dpLangevin
	Instance of DP Langevin integrator class (pointer to instance)
void(DPLangevin::*	integrator )(rng_t &)
	Integrator: either a Runge-Kutta or an Euler method.
int	n_epochs
	Total number of simulation time steps aka "epochs".
int	i_current_epoch = 0
	Index of current epoch aka time step.
int	i_next_epoch
	Index of next epoch aka time step.
double	t_current_epoch = 0.0
	Time of current epoch.
double	t_next_epoch
	Time of next epoch.
dbl_vec_t	t_epochs
	Vector time-series of epochs.
int	n_decimals
	Truncation number of decimal places when summing Δt.
dbl_vec_t	mean_densities
	Vector time-series of grid-averaged field density values.
py_array_t	pyarray_t_epochs
	Python-compatible array of epochs time-series.
py_array_t	pyarray_mean_densities
	Python-compatible array of mean density time-series.
py_array_t	pyarray_density
	Python-compatible array of current density grid.
bool	did_integrate = false
	Flag whether integration step was successful or not.
bool	is_initialized = false
	Flag whether simulation has been initialized or not.
bool	do_snapshot_grid = true
	Flag whether to take density grid snapshots.
bool	do_verbose = false
	Flag whether to report sim parameters etc.

Detailed Description

Class that manages simulation of DPLangevin equation.

Manages & executes model simulation using instances of the DPLangevin integrator class, the Coefficients struct, and the Parameters struct.

Definition at line 18 of file sim_dplangevin.hpp.

Constructor & Destructor Documentation

◆ SimDP()

SimDP::SimDP	(	const double	linear,
		const double	quadratic,
		const double	diffusion,
		const double	noise,
		const double	t_final,
		const double	dx,
		const double	dt,
		const int	random_seed,
		const GridDimension	grid_dimension,
		const int_vec_t	grid_size,
		const gt_vec_t	grid_topologies,
		const bc_vec_t	boundary_conditions,
		const dbl_vec_t	bc_values,
		const InitialCondition	initial_condition,
		const dbl_vec_t	ic_values,
		const IntegrationMethod	integration_method,
		const bool	do_snapshot_grid,
		const bool	do_verbose )

Constructor.

Constructor for class that manages simulation of DP Langevin equations.

Definition at line 11 of file sim_dplangevin.cpp.

Member Function Documentation

◆ choose_integrator()

bool SimDP::choose_integrator ( )

private

Chooses function implementing either Runge-Kutta or Euler integration methods.

Definition at line 43 of file sim_dplangevin_private.cpp.

◆ count_epochs()

int SimDP::count_epochs ( ) const

private

Count upcoming number of epochs by running a dummy time-stepping loop.

Count total number of time steps, just in case rounding causes problems.

Definition at line 32 of file sim_dplangevin_private.cpp.

◆ get_density()

py_array_t SimDP::get_density ( ) const

Fetch the current Langevin density field grid as a Python array.

Definition at line 15 of file sim_dplangevin_utilities.cpp.

◆ get_i_current_epoch()

int SimDP::get_i_current_epoch ( ) const

Fetch the index of the current epoch of the simulation.

Definition at line 9 of file sim_dplangevin_utilities.cpp.

◆ get_i_next_epoch()

int SimDP::get_i_next_epoch ( ) const

Fetch the index of the next epoch of the simulation.

Definition at line 10 of file sim_dplangevin_utilities.cpp.

◆ get_mean_densities()

py_array_t SimDP::get_mean_densities ( ) const

Fetch a times-series vector of the grid-averaged density field over time as a Python array.

Definition at line 14 of file sim_dplangevin_utilities.cpp.

◆ get_n_epochs()

int SimDP::get_n_epochs ( ) const

Fetch the total number of simulation epochs.

Definition at line 8 of file sim_dplangevin_utilities.cpp.

◆ get_t_current_epoch()

double SimDP::get_t_current_epoch ( ) const

Fetch the current epoch (time) of the simulation.

Definition at line 11 of file sim_dplangevin_utilities.cpp.

◆ get_t_epochs()

py_array_t SimDP::get_t_epochs ( ) const

Fetch a times-series vector of the simulation epochs as a Python array.

Definition at line 13 of file sim_dplangevin_utilities.cpp.

◆ get_t_next_epoch()

double SimDP::get_t_next_epoch ( ) const

Fetch the next epoch (time) of the simulation.

Definition at line 12 of file sim_dplangevin_utilities.cpp.

◆ initialize()

bool SimDP::initialize ( int n_decimals )

Initialize the model simulation.

Method to be called first to set up simulation: a grid is constructed; initial conditions are applied; the Langevin equation is prepared; the zeroth-epoch solution state is recorded (after applying boundary conditions).

Definition at line 58 of file sim_dplangevin.cpp.

◆ integrate()

bool SimDP::integrate ( const int n_next_epochs )

private

Perform Dornic-type integration of the DP Langevin equation for n_next_epochs

Definition at line 58 of file sim_dplangevin_private.cpp.

◆ postprocess()

bool SimDP::postprocess ( )

Process the model results data if available.

Method to be called after each run: the density grid and grid-average time series are then packed and made available to Python through the wrapper. This method should be called every time a "snapshot" of the simulation state is desired.

Definition at line 114 of file sim_dplangevin.cpp.

◆ pyprep_density_grid()

bool SimDP::pyprep_density_grid ( )

private

Generate a Python-compatible version of the current density grid.

Definition at line 132 of file sim_dplangevin_private.cpp.

◆ pyprep_mean_densities()

bool SimDP::pyprep_mean_densities ( )

private

Generate a Python-compatible version of the mean densities time-series vector.

Definition at line 120 of file sim_dplangevin_private.cpp.

◆ pyprep_t_epochs()

bool SimDP::pyprep_t_epochs ( )

private

Generate a Python-compatible version of the epochs time-series vector.

Definition at line 108 of file sim_dplangevin_private.cpp.

◆ run()

bool SimDP::run ( const int n_next_epochs )

Execute the model simulation for n_next_epochs

Method to carry out a set of integration steps; can be rerun repeatedly to allow segmentation of the overall simulation and to allow return of the density grid state to Python as a series of time slices.

Definition at line 99 of file sim_dplangevin.cpp.

Member Data Documentation

◆ coefficients

Coefficients SimDP::coefficients

private

Langevin equation coefficients.

Definition at line 22 of file sim_dplangevin.hpp.

◆ did_integrate

bool SimDP::did_integrate = false

private

Flag whether integration step was successful or not.

Definition at line 55 of file sim_dplangevin.hpp.

◆ do_snapshot_grid

bool SimDP::do_snapshot_grid = true

private

Flag whether to take density grid snapshots.

Definition at line 59 of file sim_dplangevin.hpp.

◆ do_verbose

bool SimDP::do_verbose = false

private

Flag whether to report sim parameters etc.

Definition at line 61 of file sim_dplangevin.hpp.

◆ dpLangevin

DPLangevin* SimDP::dpLangevin

private

Instance of DP Langevin integrator class (pointer to instance)

Definition at line 28 of file sim_dplangevin.hpp.

◆ i_current_epoch

int SimDP::i_current_epoch = 0

private

Index of current epoch aka time step.

Definition at line 35 of file sim_dplangevin.hpp.

◆ i_next_epoch

int SimDP::i_next_epoch

private

Index of next epoch aka time step.

Definition at line 37 of file sim_dplangevin.hpp.

◆ integrator

void(DPLangevin::* SimDP::integrator) (rng_t &)

private

Integrator: either a Runge-Kutta or an Euler method.

Definition at line 30 of file sim_dplangevin.hpp.

◆ is_initialized

bool SimDP::is_initialized = false

private

Flag whether simulation has been initialized or not.

Definition at line 57 of file sim_dplangevin.hpp.

◆ mean_densities

dbl_vec_t SimDP::mean_densities

private

Vector time-series of grid-averaged field density values.

Definition at line 47 of file sim_dplangevin.hpp.

◆ n_decimals

int SimDP::n_decimals

private

Truncation number of decimal places when summing Δt.

Definition at line 45 of file sim_dplangevin.hpp.

◆ n_epochs

int SimDP::n_epochs

private

Total number of simulation time steps aka "epochs".

Definition at line 33 of file sim_dplangevin.hpp.

◆ p

Parameters SimDP::p

private

Model simulation parameters.

Definition at line 24 of file sim_dplangevin.hpp.

◆ pyarray_density

py_array_t SimDP::pyarray_density

private

Python-compatible array of current density grid.

Definition at line 53 of file sim_dplangevin.hpp.

◆ pyarray_mean_densities

py_array_t SimDP::pyarray_mean_densities

private

Python-compatible array of mean density time-series.

Definition at line 51 of file sim_dplangevin.hpp.

◆ pyarray_t_epochs

py_array_t SimDP::pyarray_t_epochs

private

Python-compatible array of epochs time-series.

Definition at line 49 of file sim_dplangevin.hpp.

◆ rng

rng_t* SimDP::rng

private

Random number generation function (Mersenne prime) (pointer to RNG)

Definition at line 26 of file sim_dplangevin.hpp.

◆ t_current_epoch

double SimDP::t_current_epoch = 0.0

private

Time of current epoch.

Definition at line 39 of file sim_dplangevin.hpp.

◆ t_epochs

dbl_vec_t SimDP::t_epochs

private

Vector time-series of epochs.

Definition at line 43 of file sim_dplangevin.hpp.

◆ t_next_epoch

double SimDP::t_next_epoch

private

Time of next epoch.

Definition at line 41 of file sim_dplangevin.hpp.

The documentation for this class was generated from the following files:

cplusplus/dp/sim_dplangevin.hpp
cplusplus/dp/sim_dplangevin.cpp
cplusplus/dp/sim_dplangevin_private.cpp
cplusplus/dp/sim_dplangevin_utilities.cpp

Public Member Functions

Private Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ SimDP()

Member Function Documentation

◆ choose_integrator()

◆ count_epochs()

◆ get_density()

◆ get_i_current_epoch()

◆ get_i_next_epoch()

◆ get_mean_densities()

◆ get_n_epochs()

◆ get_t_current_epoch()

◆ get_t_epochs()

◆ get_t_next_epoch()

◆ initialize()

◆ integrate()

◆ postprocess()

◆ pyprep_density_grid()

◆ pyprep_mean_densities()

◆ pyprep_t_epochs()

◆ run()

Member Data Documentation

◆ coefficients

◆ did_integrate

◆ do_snapshot_grid

◆ do_verbose

◆ dpLangevin

◆ i_current_epoch

◆ i_next_epoch

◆ integrator

◆ is_initialized

◆ mean_densities

◆ n_decimals

◆ n_epochs

◆ p

◆ pyarray_density

◆ pyarray_mean_densities

◆ pyarray_t_epochs

◆ rng

◆ t_current_epoch

◆ t_epochs

◆ t_next_epoch