voroxx 0.1.0

Voro++, a 3D cell-based Voronoi library
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use crate::rust::voronoi_cell_base::{VoronoiCellBase, VoronoiCellBaseFFI};
use cpp::cpp;

cpp! {{
    #include "voro++.hh"
    using namespace voro;
}}

/// A single Voronoi cell, with neighbor information.
///
/// This class represents a single Voronoi cell, as a collection of vertices
/// that are connected by edges. The class contains routines for initializing
/// the Voronoi cell to be simple shapes such as a box, tetrahedron, or
/// octahedron. It the contains routines for recomputing the cell based on
/// cutting it by a plane, which forms the key routine for the Voronoi cell
/// computation. It contains numerous routine for computing statistics about the
/// Voronoi cell, and it can output the cell in several formats.
///
/// Use this class in cases when is necessary to track the IDs of
/// neighboring particles associated with each face of the Voronoi cell.
#[repr(C)]
pub struct VoronoiCellNeighbor(*mut std::ffi::c_void);

impl VoronoiCellBaseFFI for VoronoiCellNeighbor {
    fn ptr(&self) -> *mut std::ffi::c_void {
        self.0
    }
}

impl VoronoiCellBase for VoronoiCellNeighbor {}

impl VoronoiCellNeighbor {
    /// Initializes the Voronoi cell to be an axis aligned rectangular box with
    /// the given dimensions. The neighbor information for the initial faces are
    /// ID numbers from -1 to -6.
    ///
    /// __Parameters:__

    /// * `xyz_min` The minimum coordinates.
    /// * `xyz_max` The maximum coordinates.
    pub fn init(xyz_min: &[f64; 3], xyz_max: &[f64; 3]) -> Self {
        debug_assert!(xyz_min[0] <= xyz_max[0]);
        debug_assert!(xyz_min[1] <= xyz_max[1]);
        debug_assert!(xyz_min[2] <= xyz_max[2]);
        Self(cpp!(unsafe
                [xyz_min as "double*", xyz_max as "double*"]
                -> *mut std::ffi::c_void as "voronoicell_neighbor*" {
            voronoicell_neighbor* x = new voronoicell_neighbor;
            x->init(xyz_min[0], xyz_max[0], xyz_min[1], xyz_max[1], xyz_min[2], xyz_max[2]);
            return x;
        }))
    }

    /// Initializes the cell to be an octahedron with vertices at (l,0,0),
    /// (-l,0,0), (0,l,0), (0,-l,0), (0,0,l), and (0,0,-l). The neighbor
    /// information for the initial faces are ID numbers from -1 to -8.
    ///
    /// __Parameters:__
    /// * `l` a parameter setting the size of the octahedron.
    pub fn init_octahedron(l: f64) -> Self {
        Self(cpp!(unsafe
                [l as "double"]
                -> *mut std::ffi::c_void as "voronoicell_neighbor*" {
            voronoicell_neighbor* x = new voronoicell_neighbor;
            x->init_octahedron(l);
            return x;
        }))
    }

    /// Initializes the cell to be a tetrahedron. The neighbor information for
    /// the initial faces are ID numbers from -1 to -4.
    ///
    /// __Parameters:__
    /// * `v1` The coordinates (x,y,z) of the first vertex.
    /// * `v2` The coordinates (x,y,z) of the second vertex.
    /// * `v3` The coordinates (x,y,z) of the third vertex.
    /// * `v4` The coordinates (x,y,z) of the fourth vertex.
    pub fn init_tetrahedron(v1: &[f64; 3], v2: &[f64; 3], v3: &[f64; 3], v4: &[f64; 3]) -> Self {
        Self(cpp!(unsafe
                [v1 as "double*", v2 as "double*", v3 as "double*", v4 as "double*"]
                -> *mut std::ffi::c_void as "voronoicell_neighbor*" {
            voronoicell_neighbor* x = new voronoicell_neighbor;
            x->init_tetrahedron(
                v1[0], v1[1], v1[2],
                v2[0], v2[1], v2[2],
                v3[0], v3[1], v3[2],
                v4[0], v4[1], v4[2]);
            return x;
        }))
    }

    /// Cuts a Voronoi cell using the plane corresponding to the perpendicular
    /// bisector between the particle and the origin. This sets the plane ID
    /// number to zero; see method `nplane` to supply a different plane ID
    /// number.
    ///
    /// __Parameters:__
    /// (`x`, `y`, `z`) The position of the particle.
    ///
    /// __Returns:__
    ///     False if the plane cut deleted the cell entirely, true otherwise.
    pub fn plane(&mut self, xyz: &[f64; 3]) -> bool {
        let ptr = self.0;
        cpp!(unsafe [ptr as "voronoicell_neighbor*",
                    xyz as "double*"] -> bool as "bool" {
            return ptr->plane(xyz[0], xyz[1], xyz[2]);
        })
    }

    /// Cuts a Voronoi cell using the plane corresponding to the perpendicular
    /// bisector of the particle and the origin.
    ///
    /// __Parameters:__
    /// * (`x`, `y`, `z`) The position of the particle.
    /// * `p_id` The plane ID number for tracking neighbors.
    ///
    /// __Returns:__
    ///     False if the plane cut deleted the cell entirely, true otherwise.
    pub fn nplane(&mut self, xyz: &[f64; 3], p_id: i32) -> bool {
        let ptr = self.0;
        cpp!(unsafe [ptr as "voronoicell_neighbor*",
                    xyz as "double*",
                    p_id as "int"] -> bool as "bool" {
            return ptr->nplane(xyz[0], xyz[1], xyz[2], p_id);
        })
    }

    /// Returns a list of IDs of neighboring particles corresponding to each face.
    pub fn neighbors(&self) -> Vec<i32> {
        let ptr = self.0;
        let f = self.number_of_faces() as usize;
        let mut neighbors = Vec::with_capacity(f);
        unsafe {
            neighbors.set_len(f);
        }
        let data_ptr = neighbors.as_mut_ptr();
        cpp!(unsafe [ptr as "voronoicell_neighbor*", data_ptr as "int*"] {
            std::vector<int> temp;
            ptr->neighbors(temp);
            std::copy(temp.begin(), temp.end(), data_ptr);
        });
        return neighbors;
    }
}

impl Clone for VoronoiCellNeighbor {
    fn clone(&self) -> Self {
        let ptr = self.0;
        Self(cpp!(unsafe [ptr as "voronoicell_neighbor*"]
                    -> *mut std::ffi::c_void as "voronoicell_neighbor*" {
            voronoicell_neighbor* x = new voronoicell_neighbor;
            *x = *ptr;
            return x;
        }))
    }
}

impl Drop for VoronoiCellNeighbor {
    fn drop(&mut self) {
        let ptr = self.0;
        cpp!(unsafe [ptr as "voronoicell_neighbor*"] {
            delete ptr;
        })
    }
}

/// Call every public API entry point. Check for sane results & no program crashes.
#[test]
fn ffi_sanity() {
    let x = VoronoiCellNeighbor::init(&[0.0; 3], &[1.0; 3]);
    let x = x.clone();
    assert!(x.number_of_faces() == 6);
    assert!(x.number_of_edges() == 12);
    assert!(x.number_of_vertices() == 8);
    assert!(x.surface_area() == 6.0);
    assert!(x.volume() == 1.0);
    assert!(x.total_edge_distance() == 12.0);
    assert!(x.vertices().len() == 8);
    assert!(x.face_areas() == vec![1.0; 6]);
    assert!(x.face_perimeters() == vec![4.0; 6]);
    assert!(x.normals().len() == 6);
    for n in x.normals() {
        assert!(n.iter().all(|&z| z == 0.0 || z.abs() == 1.0));
        assert!(n.iter().sum::<f64>().abs() == 1.0);
    }
    assert!(x.face_vertices().len() == 6);
    for f in x.face_vertices() {
        assert!(f.iter().all(|&z| z < x.number_of_vertices() as usize));
        let mut q = f.clone();
        q.sort();
        q.dedup();
        assert!(q.len() == f.len());
    }
    let mut x = x;
    x.translate(&[2.0, -2.0, 0.5]);
    x.translate(&[-2.0, 2.0, -0.5]);
    assert!(x.centroid() == [0.5, 0.5, 0.5]);

    assert!(x.plane(&[10.0, 10.0, 10.0]) == true);
    assert!(x.nplane(&[1.0, 1.0, 1.0], 123456) == true);
    assert!(x.neighbors().len() == x.number_of_faces() as usize);
    let mut n = x.neighbors();
    n.sort();
    assert!(n == vec![-6, -5, -4, -3, -2, -1, 123456]);

    x.translate(&[3.3, 3.3, 3.3]);
    assert!(x.plane(&[1.0, 1.0, 1.0]) == false);

    let octahedron = VoronoiCellNeighbor::init_octahedron(1.0);
    assert!(octahedron.number_of_faces() == 8);

    let tetrhedron = VoronoiCellNeighbor::init_tetrahedron(
        &[0.0, 0.0, 0.0],
        &[1.0, 1.0, 1.0],
        &[0.0, 1.0, 0.0],
        &[1.0, 1.0, 0.0],
    );
    assert!(tetrhedron.number_of_faces() == 4);
    assert!(tetrhedron.max_radius_squared() == 3.0);
}