hoomd_mc/
translate.rs

1// Copyright (c) 2024-2026 The Regents of the University of Michigan.
2// Part of hoomd-rs, released under the BSD 3-Clause License.
3
4//! Implement Translate
5
6use serde::{Deserialize, Serialize};
7use std::{fmt, marker::PhantomData};
8
9use hoomd_utility::valid::PositiveReal;
10
11use crate::Adjust;
12
13mod cartesian;
14mod hyperboloid;
15mod sphere;
16
17/// Move the position of a body by a small distance.
18///
19/// `Translate` proposes local trial moves that translate the position of a body
20/// in space by up to a maximum distance, given by a [`PositiveReal`].
21///
22/// [`PositiveReal`]: hoomd_utility::valid::PositiveReal
23///
24/// The generic type names are:
25/// * `P`: The type of the point to translate.
26///
27/// # Example
28///
29/// ```
30/// use hoomd_mc::Translate;
31/// use hoomd_vector::Cartesian;
32///
33/// # fn main() -> Result<(), Box<dyn std::error::Error>> {
34/// let d = 0.1;
35/// let translate =
36///     Translate::<Cartesian<2>>::with_maximum_distance(d.try_into()?);
37/// # Ok(())
38/// # }
39/// ```
40#[derive(Clone, Debug, PartialEq, Serialize, Deserialize)]
41pub struct Translate<P> {
42    /// The maximum distance a body can be translated in one trial move.
43    maximum_distance: PositiveReal,
44    /// Mark the type of the point to be translated.
45    marker: PhantomData<P>,
46}
47
48impl<P> Translate<P> {
49    /// Construct a [`Translate`] move with the given maximum distance.
50    ///
51    /// # Example
52    ///
53    /// ```
54    /// use hoomd_mc::Translate;
55    /// use hoomd_vector::Cartesian;
56    ///
57    /// # fn main() -> Result<(), Box<dyn std::error::Error>> {
58    /// let d = 0.1;
59    /// let translate =
60    ///     Translate::<Cartesian<2>>::with_maximum_distance(d.try_into()?);
61    /// # Ok(())
62    /// # }
63    /// ```
64    #[must_use]
65    #[inline]
66    pub fn with_maximum_distance(maximum_distance: PositiveReal) -> Self {
67        Self {
68            maximum_distance,
69            marker: PhantomData,
70        }
71    }
72
73    /// Get the maximum distance.
74    #[must_use]
75    #[inline]
76    pub fn maximum_distance(&self) -> &PositiveReal {
77        &self.maximum_distance
78    }
79
80    /// Get the maximum distance.
81    #[inline]
82    pub fn maximum_distance_mut(&mut self) -> &mut PositiveReal {
83        &mut self.maximum_distance
84    }
85}
86
87impl<P> Adjust for Translate<P> {
88    /// Change the maximum trial move size by the given scale factor.
89    #[inline]
90    fn adjust(&mut self, factor: PositiveReal) {
91        self.maximum_distance *= factor;
92    }
93}
94
95impl<P> fmt::Display for Translate<P> {
96    /// Format a [`Translate`] as `{maximum_distance}`.
97    #[inline]
98    fn fmt(&self, f: &mut fmt::Formatter) -> fmt::Result {
99        self.maximum_distance.fmt(f)
100    }
101}
hoomd_mc/translate.rs

hoomd_mc/
translate.rs
