IMP::atom::SimulationParameters Class Reference

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Detailed Description

A decorator for a particle storing parameters of the current simulation.

This particle stores parametersrmation about the current state of a simulation in a form that can be accessed by other objects. Currently, it is used by IMP::atom::BrownianDynamics. It you want to access such parameters from IMP::atom::MolecularDynamics, give us a hollar.

Inheritance diagram for IMP::atom::SimulationParameters:

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Public Member Functions
Float	get_current_time_in_femtoseconds () const
Float	get_last_time_step_in_femtoseconds () const
Float	get_maximum_time_step_in_femtoseconds () const
Float	get_temperature_in_kelvin () const
void	set_current_time_in_femtoseconds (double t)
void	set_last_time_step_in_femtoseconds (double t)
void	set_maximum_time_step_in_femtoseconds (double t)
	SimulationParameters (::IMP::Particle *p)
Static Public Member Functions
static SimulationParameters	decorate_particle (::IMP::Particle *p)
static FloatKey	get_current_time_key ()
static FloatKey	get_last_time_step_key ()
static FloatKey	get_maximum_time_step_key ()
static FloatKey	get_temperature_key ()
static bool	particle_is_instance (Particle *p)
	return true if the particle has the needed attributes
static SimulationParameters	setup_particle (Particle *p, double time_step=1e3, double T=IMP::internal::DEFAULT_TEMPERATURE.get_value())

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Member Function Documentation

static SimulationParameters IMP::atom::SimulationParameters::setup_particle	(	Particle *	p,
		double	time_step = 1e3,
		double	T = IMP::internal::DEFAULT_TEMPERATURE.get_value()
	)			[static]

Create a decorator. Bad constructor, be careful not to switch values.

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

• SimulationParameters.h
• atom/__init__.py