Trait Simulation

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pub trait Simulation {
Show 17 methods    // Required methods
    fn system_name(&self) -> &str;
    fn particles(&self) -> &[Particle];
    fn particles_mut(&mut self) -> &mut [Particle];
    fn for_each_particle_pairs_mut(
        &mut self,
        f: &mut dyn FnMut(&mut Particle, &mut Particle),
    );
    fn particle_count(&self) -> usize;
    fn add_particles(&mut self, particles: Vec<Particle>);
    fn get_force(&self) -> Arc<dyn Force>;
    fn set_force(&mut self, force: Arc<dyn Force>);
    fn args(&self) -> SimulationArgs;
    fn set_args(&mut self, args: SimulationArgs);

    // Provided methods
    fn for_each_particles(&self, f: &mut dyn FnMut(&Particle)) { ... }
    fn for_each_particles_mut(&mut self, f: &mut dyn FnMut(&mut Particle)) { ... }
    fn update_position(&mut self, delta_t: f64) { ... }
    fn delay_force(&mut self) { ... }
    fn update_force(&mut self) { ... }
    fn update_velocity(&mut self, delta_t: f64) { ... }
    fn step(&mut self, delta_t: f64) { ... }
}

Expand description

An interface-level abstraction of a molecular dynamics simulation. A Simulation is a method of organizing the particles and forces in a way that allows for efficient computation.

Required Methods§

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fn system_name(&self) -> &str

§Returns

Name of the simulation system, which is used for serialization and deserialization. The characters are expected to be in lowercase.

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fn particles(&self) -> &[Particle]

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fn particles_mut(&mut self) -> &mut [Particle]

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fn for_each_particle_pairs_mut( &mut self, f: &mut dyn FnMut(&mut Particle, &mut Particle), )

The core method of the trait. Different implementations of Simulation vary in performance as this is the heaviest part of the simulation. Invokes a lambda callback for pair of particles in the simulation, with the following limitations:

An iterator over distinct pairs of particles, accounting for symmetry.
If you receive a pair (a, b) it is guaranteed that you will not receive (b, a).
There is no guarantee you will receive all pairs.

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