Struct PositionConstraintContrib 

pub struct PositionConstraintContrib { /* private fields */ }

Implementations

impl PositionConstraintContrib

pub fn new( owner: &ForceField, idx: usize, max_displ: f64, force_constant: f64, ) -> PositionConstraintContrib

pub fn new_relative( owner: &ForceField, idx: usize, relative: bool, max_displ: f64, force_constant: f64, ) -> PositionConstraintContrib

pub fn max_displ(&self) -> f64

pub fn pos0(&self) -> ForceFieldVec3

pub fn get_energy(&self, pos: &[f64]) -> f64

pub fn get_grad(&self, pos: &[f64], grad: &mut [f64])

Trait Implementations

impl Clone for PositionConstraintContrib

fn clone(&self) -> PositionConstraintContrib

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for PositionConstraintContrib

fn fmt(&self, f: &mut Formatter<'_>) -> Result<(), Error>

Formats the value using the given formatter.

impl ForceFieldContrib for PositionConstraintContrib

fn copy(&self) -> Box<dyn ForceFieldContrib>

fn set_force_field(&mut self, owner: *const ForceField)

fn get_energy(&self, pos: &[f64]) -> f64

fn get_grad(&self, pos: &[f64], grad: &mut [f64])

impl PartialEq for PositionConstraintContrib

fn eq(&self, other: &PositionConstraintContrib) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl StructuralPartialEq for PositionConstraintContrib