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ISimulation

Reason for existence

The ISimulation is a starting point and container for other top-level simulation objects: the IController, IRandom and IBoxs. The ISimulation also has an ISimulationEventManager.

Proposed Interface

interface ISimulation {

    /**
     * Adds a Phase to the simulation.  This method should not be called if
     * newPhase is already held by the simulation.
     */
    void addBox(IBox newBox);

    /**
     * Removes a Phase to the simulation.  This method should not be called if
     * oldPhase is not held by the simulation.
     */
    void removeBox(IBox oldBox);

    readonly attribute int boxCount;

    public IBox getBox(int index);

    /**
     * Returns the Simulation's random number generator.
     */
    readonly attribute IRandom random;

    /**
     * Returns the Simulation's event manager, which fires events for
     * Phases and Species being added and removed.
     */
    readonly attribute IEventManager eventManager;

    void removeSpecies(in ISpecies species);

    void addSpecies(in ISpecies species);

    readonly attribute int speciesCount;

    void getSpecies(in int index);

    readonly attribute IIntegrator integrator;

}

Use

Notes

The dynamic attribute exists in Etomica to determine what kind of IAtoms are made (whether or not they have velocities). There is perhaps a better way to specify this.

Etomica's Simulation also holds a Space which acts as a factory for vectors and tensors appropriate for the simulation's dimensionality.