Struct Count 

pub struct Count {
    pub accepted: u64,
    pub rejected: u64,
}

Accepted and rejected trial moves.

A Trial reports the number moves it accepts and rejects via Count (or some variation on Count). Count implements Add, AddAssign, and convenience methods that compute often used properties, like the acceptance rate.

Example

Count the total number of trial moves performed over a number of sweeps:

use hoomd_interaction::Zero;
use hoomd_mc::{Count, Sweep, Translate, Trial};
use hoomd_microstate::{Body, Microstate, property::Position};
use hoomd_simulation::macrostate::Isothermal;
use hoomd_vector::Cartesian;

let macrostate = Isothermal { temperature: 1.0 };
let mut microstate = Microstate::new();
microstate.add_body(Body::point(Cartesian::from([0.0, 0.0])));
let d = 0.1;
let translate = Translate::with_maximum_distance(d.try_into()?);
let mut translate_sweep = Sweep(translate);

let mut count = Count::default();

for _ in 0..1_000 {
    count += translate_sweep.apply(&mut microstate, &Zero, &macrostate);
    microstate.increment_step();
}

assert_eq!(count.total(), 1_000);

Fields

accepted: u64

The number of accepted moves.

rejected: u64

The number of rejected moves.

Implementations

impl Count

pub fn total(&self) -> u64

The total number of trial moves.

Example

use hoomd_mc::Count;

let count = Count {
    accepted: 2_000,
    rejected: 8_000,
};
let total = count.total();

assert_eq!(total, 10_000);

pub fn acceptance_ratio(&self) -> Option<f64>

The fraction of moves that were accepted.

The acceptance ratio is the ratio of accepted moves to total moves. acceptance_ratio returns Some(ratio) when the number of total moves is nonzero and None when there are 0 moves.

Example

use hoomd_mc::Count;

let count = Count {
    accepted: 2_000,
    rejected: 8_000,
};
let acceptance_ratio = count.acceptance_ratio();

assert_eq!(acceptance_ratio, Some(0.2));

use hoomd_mc::Count;

let count = Count::default();
let acceptance_ratio = count.acceptance_ratio();

assert_eq!(acceptance_ratio, None);

Trait Implementations

impl Add for Count

type Output = Count

The resulting type after applying the + operator.

fn add(self, rhs: Self) -> Self

Performs the + operation.

impl AddAssign for Count

fn add_assign(&mut self, rhs: Self)

Performs the += operation.

impl Clone for Count

fn clone(&self) -> Count

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for Count

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

Formats the value using the given formatter.

impl Default for Count

fn default() -> Count

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for Count

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for Count

fn eq(&self, other: &Count) -> 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 Serialize for Count

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl Copy for Count

impl StructuralPartialEq for Count