using StaticArrays: SVector, SMatrix using LinearAlgebra: eigvals, Hermitian function project_to_unit_circle(x::Float64, half_box_len::Float64) φ = (x + half_box_len) * π / half_box_len si, co = sincos(φ) return SVector(co, si) end function project_back_from_unit_circle(θ::T, half_box_len::Float64) where {T<:Real} x = θ * half_box_len / π - half_box_len return restrict_coordinate(x, half_box_len) end function center_of_mass(particles::Vector{Particle}, half_box_len::Float64) x_proj_sum = SVector(0.0, 0.0) y_proj_sum = SVector(0.0, 0.0) for p in particles x_proj_sum += project_to_unit_circle(p.c[1], half_box_len) y_proj_sum += project_to_unit_circle(p.c[2], half_box_len) end # Prevent for example atan(1e-16, 1e-15) != 0 with rounding digits = 5 # No need for 1/n_particles with atan # If proj is (0, 0) then COM is 0 or L or -L. Here, 0 is choosen with θ = π if round(x_proj_sum[1]; digits=digits) == round(x_proj_sum[2]; digits=digits) == 0 x_θ = π else x_θ = atan(x_proj_sum[2], x_proj_sum[1]) end if round(y_proj_sum[1]; digits=digits) == round(y_proj_sum[2]; digits=digits) == 0 y_θ = π else y_θ = atan(y_proj_sum[2], y_proj_sum[1]) end COM_x = project_back_from_unit_circle(x_θ, half_box_len) COM_y = project_back_from_unit_circle(y_θ, half_box_len) return SVector(COM_x, COM_y) end function gyration_tensor(particles::Vector{Particle}, half_box_len::Float64) COM = center_of_mass(particles, half_box_len) S11 = 0.0 S12 = 0.0 S22 = 0.0 for p in particles shifted_c = restrict_coordinates(p.c - COM, half_box_len) S11 += shifted_c[1]^2 S12 += shifted_c[1] * shifted_c[2] S22 += shifted_c[2]^2 end return Hermitian(SMatrix{2,2}(S11, S12, S12, S22)) end function gyration_tensor_eigvals_ratio(particles::Vector{Particle}, half_box_len::Float64) ev = eigvals(gyration_tensor(particles, half_box_len)) # Eigenvalues are sorted return ev[1] / ev[2] end