Enhancements to storages

[kaipartmann]

Major enhancements on how storages are initializes and used. The amount of boilerplate code is reduced.
Fixes #131, closes #129, closes #72, closes #70.

NEW

@storage BBMaterial struct BBStorage <: AbstractStorage
    @lthfield position::Matrix{Float64}
    @pointfield displacement::Matrix{Float64}
    @pointfield velocity::Matrix{Float64}
    @pointfield velocity_half::Matrix{Float64}
    @pointfield velocity_half_old::Matrix{Float64}
    @pointfield acceleration::Matrix{Float64}
    @pointfield b_int::Matrix{Float64}
    @pointfield b_int_old::Matrix{Float64}
    @pointfield b_ext::Matrix{Float64}
    @pointfield density_matrix::Matrix{Float64}
    @pointfield damage::Vector{Float64}
    bond_active::Vector{Bool}
    @pointfield n_active_bonds::Vector{Int}
end

OLD

struct BBVerletStorage <: AbstractStorage
    position::Matrix{Float64}
    displacement::Matrix{Float64}
    velocity::Matrix{Float64}
    velocity_half::Matrix{Float64}
    acceleration::Matrix{Float64}
    b_int::Matrix{Float64}
    b_ext::Matrix{Float64}
    damage::Vector{Float64}
    bond_active::Vector{Bool}
    n_active_bonds::Vector{Int}
end

function BBVerletStorage(::BBMaterial, ::VelocityVerlet, system::BondSystem, ch)
    n_loc_points = length(ch.loc_points)
    position = copy(system.position)
    displacement = zeros(3, n_loc_points)
    velocity = zeros(3, n_loc_points)
    velocity_half = zeros(3, n_loc_points)
    acceleration = zeros(3, n_loc_points)
    b_int = zeros(3, n_loc_points)
    b_ext = zeros(3, n_loc_points)
    damage = zeros(n_loc_points)
    bond_active = ones(Bool, length(system.bonds))
    n_active_bonds = copy(system.n_neighbors)
    s = BBVerletStorage(position, displacement, velocity, velocity_half, acceleration,
                        b_int, b_ext, damage, bond_active, n_active_bonds)
    return s
end

@storage BBMaterial VelocityVerlet BBVerletStorage

@loc_to_halo_fields BBVerletStorage :position

struct BBRelaxationStorage <: AbstractStorage
    position::Matrix{Float64}
    displacement::Matrix{Float64}
    velocity::Matrix{Float64}
    velocity_half::Matrix{Float64}
    velocity_half_old::Matrix{Float64}
    b_int::Matrix{Float64}
    b_int_old::Matrix{Float64}
    b_ext::Matrix{Float64}
    density_matrix::Matrix{Float64}
    damage::Vector{Float64}
    bond_active::Vector{Bool}
    n_active_bonds::Vector{Int}
end

function BBRelaxationStorage(::BBMaterial, ::DynamicRelaxation, system::BondSystem, ch)
    n_loc_points = length(ch.loc_points)
    position = copy(system.position)
    displacement = zeros(3, n_loc_points)
    velocity = zeros(3, n_loc_points)
    velocity_half = zeros(3, n_loc_points)
    velocity_half_old = zeros(3, n_loc_points)
    b_int = zeros(3, n_loc_points)
    b_int_old = zeros(3, n_loc_points)
    b_ext = zeros(3, n_loc_points)
    density_matrix = zeros(3, n_loc_points)
    damage = zeros(n_loc_points)
    bond_active = ones(Bool, length(system.bonds))
    n_active_bonds = copy(system.n_neighbors)
    s = BBRelaxationStorage(position, displacement, velocity, velocity_half,
                            velocity_half_old, b_int, b_int_old, b_ext, density_matrix,
                            damage, bond_active, n_active_bonds)
    return s
end

@storage BBMaterial DynamicRelaxation BBRelaxationStorage

@loc_to_halo_fields BBRelaxationStorage :position

const BBStorage = Union{BBVerletStorage,BBRelaxationStorage}

[codecov]

Codecov Report

Attention: Patch coverage is 91.53005% with 31 lines in your changes missing coverage. Please review.

Project coverage is 91.63%. Comparing base (d64c097) to head (e1f93f2).
Report is 16 commits behind head on main.

Files with missing lines	Patch %	Lines
src/core/storages.jl	87.57%	20 Missing ⚠️
src/discretization/interaction_system.jl	78.26%	5 Missing ⚠️
src/core/systems.jl	81.81%	4 Missing ⚠️
src/discretization/body_chunk.jl	90.90%	1 Missing ⚠️
src/time_solvers/dynamic_relaxation.jl	97.14%	1 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #180      +/-   ##
==========================================
+ Coverage   91.11%   91.63%   +0.52%     
==========================================
  Files          44       44              
  Lines        4187     4258      +71     
==========================================
+ Hits         3815     3902      +87     
+ Misses        372      356      -16     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.