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Implement NHS based on static neighbor lists
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struct NeighborListsNeighborhoodSearch{NDIMS, NHS, NL, PB} | ||
neighborhood_search :: NHS | ||
neighbor_lists :: NL | ||
periodic_box :: PB | ||
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function NeighborListsNeighborhoodSearch{NDIMS}(search_radius, n_particles; | ||
periodic_box_min_corner = nothing, | ||
periodic_box_max_corner = nothing) where { | ||
NDIMS | ||
} | ||
backend = GridNeighborhoodSearch{NDIMS}(search_radius, n_particles, | ||
periodic_box_min_corner = periodic_box_min_corner, | ||
periodic_box_max_corner = periodic_box_max_corner) | ||
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neighbor_lists = Vector{Vector{Int}}() | ||
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new{NDIMS, typeof(backend), | ||
typeof(neighbor_lists), | ||
typeof(backend.periodic_box)}(backend, neighbor_lists, backend.periodic_box) | ||
end | ||
end | ||
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@inline function Base.ndims(neighborhood_search::NeighborListsNeighborhoodSearch{NDIMS}) where { | ||
NDIMS | ||
} | ||
return NDIMS | ||
end | ||
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function initialize!(search::NeighborListsNeighborhoodSearch, | ||
x::AbstractMatrix, y::AbstractMatrix) | ||
(; neighborhood_search, neighbor_lists) = search | ||
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initialize!(neighborhood_search, x, y) | ||
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initialize_neighbor_lists!(neighbor_lists, neighborhood_search, x, y) | ||
end | ||
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function update!(search::NeighborListsNeighborhoodSearch, x::AbstractMatrix, | ||
y::AbstractMatrix; | ||
particles_moving = (true, true)) | ||
(; neighborhood_search, neighbor_lists) = search | ||
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update!(neighborhood_search, x, y, particles_moving = particles_moving) | ||
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initialize_neighbor_lists!(neighbor_lists, neighborhood_search, x, y) | ||
end | ||
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function initialize_neighbor_lists!(neighbor_lists, neighborhood_search, x, y) | ||
# Initialize neighbor lists | ||
empty!(neighbor_lists) | ||
resize!(neighbor_lists, size(x, 2)) | ||
for i in eachindex(neighbor_lists) | ||
neighbor_lists[i] = Int[] | ||
end | ||
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# Compute neighbor lists | ||
for_particle_neighbor(x, y, neighborhood_search) do particle, neighbor, _, _ | ||
push!(neighbor_lists[particle], neighbor) | ||
end | ||
end | ||
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@inline function for_particle_neighbor_inner(f, system_coords, neighbor_system_coords, | ||
neighborhood_search::NeighborListsNeighborhoodSearch, | ||
particle) | ||
(; periodic_box, neighbor_lists) = neighborhood_search | ||
(; search_radius) = neighborhood_search.neighborhood_search | ||
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particle_coords = extract_svector(system_coords, Val(ndims(neighborhood_search)), | ||
particle) | ||
for neighbor in neighbor_lists[particle] | ||
neighbor_coords = extract_svector(neighbor_system_coords, | ||
Val(ndims(neighborhood_search)), neighbor) | ||
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pos_diff = particle_coords - neighbor_coords | ||
distance2 = dot(pos_diff, pos_diff) | ||
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pos_diff, distance2 = compute_periodic_distance(pos_diff, distance2, search_radius, | ||
periodic_box) | ||
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distance = sqrt(distance2) | ||
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# Inline to avoid loss of performance | ||
# compared to not using `for_particle_neighbor`. | ||
@inline f(particle, neighbor, pos_diff, distance) | ||
end | ||
end |