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MolecularIntegrator

qualia_core_db::specialized_libs::chemistry_modeling

Struct MolecularIntegrator

pub struct MolecularIntegrator { /* private fields */ }

Expand description

Molecular integrator

Implementations§

impl MolecularIntegrator

pub fn new() -> Self

pub fn integrator_type(&self) -> &IntegratorType

Borrow the integrator type.

pub fn set_integrator_type(&mut self, integrator_type: IntegratorType)

Set the integrator type.

pub fn integrator_parameters(&self) -> &IntegratorParameters

Borrow the integrator parameters.

pub fn integrator_parameters_mut(&mut self) -> &mut IntegratorParameters

Mutably borrow the integrator parameters.

pub fn initialize(&mut self) -> Result<(), ChemistryError>

Auto Trait Implementations§

impl Freeze for MolecularIntegrator

impl RefUnwindSafe for MolecularIntegrator

impl Send for MolecularIntegrator

impl Sync for MolecularIntegrator

impl Unpin for MolecularIntegrator

impl UnsafeUnpin for MolecularIntegrator

impl UnwindSafe for MolecularIntegrator

Blanket Implementations§

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