module Test
using Test
using Polymers.Physics: BOLTZMANN_CONSTANT
using Polymers.Physics.SingleChain: ZERO, parameters
using Polymers.Physics.SingleChain.Wlc.Thermodynamics.Isotensional: WLC
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::base::init" begin
@test isa(
WLC(
parameters.number_of_links_minimum,
parameters.link_length_reference,
parameters.hinge_mass_reference,
parameters.persistance_length_reference,
),
Any,
)
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::base::number_of_links" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
@test WLC(
number_of_links,
parameters.link_length_reference,
parameters.hinge_mass_reference,
parameters.persistance_length_reference,
).number_of_links == number_of_links
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::base::link_length" begin
for _ = 1:parameters.number_of_loops
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
@test WLC(
parameters.number_of_links_minimum,
link_length,
parameters.hinge_mass_reference,
parameters.persistance_length_reference,
).link_length == link_length
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::base::hinge_mass" begin
for _ = 1:parameters.number_of_loops
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
@test WLC(
parameters.number_of_links_minimum,
parameters.link_length_reference,
hinge_mass,
parameters.persistance_length_reference,
).hinge_mass == hinge_mass
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::base::persistance_length" begin
for _ = 1:parameters.number_of_loops
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
@test WLC(
parameters.number_of_links_minimum,
parameters.link_length_reference,
parameters.hinge_mass_reference,
persistance_length,
).persistance_length == persistance_length
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::base::all_parameters" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
@test all(
WLC(
number_of_links,
link_length,
hinge_mass,
persistance_length,
).number_of_links == number_of_links &&
WLC(number_of_links, link_length, hinge_mass, persistance_length).link_length ==
link_length &&
WLC(number_of_links, link_length, hinge_mass, persistance_length).hinge_mass ==
hinge_mass &&
WLC(
number_of_links,
link_length,
hinge_mass,
persistance_length,
).persistance_length == persistance_length,
)
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::nondimensional::end_to_end_length" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_end_to_end_length =
model.nondimensional_end_to_end_length(nondimensional_force)
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length = model.end_to_end_length(force, temperature)
residual_abs = end_to_end_length / link_length - nondimensional_end_to_end_length
residual_rel = residual_abs / nondimensional_end_to_end_length
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::nondimensional::end_to_end_length_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_end_to_end_length_per_link =
model.nondimensional_end_to_end_length_per_link(nondimensional_force)
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length_per_link = model.end_to_end_length_per_link(force, temperature)
residual_abs =
end_to_end_length_per_link / link_length -
nondimensional_end_to_end_length_per_link
residual_rel = residual_abs / nondimensional_end_to_end_length_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::nondimensional::gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_gibbs_free_energy =
model.nondimensional_gibbs_free_energy(nondimensional_force, temperature)
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
gibbs_free_energy = model.gibbs_free_energy(force, temperature)
residual_abs =
gibbs_free_energy / BOLTZMANN_CONSTANT / temperature -
nondimensional_gibbs_free_energy
residual_rel = residual_abs / nondimensional_gibbs_free_energy
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::nondimensional::gibbs_free_energy_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_gibbs_free_energy_per_link =
model.nondimensional_gibbs_free_energy_per_link(
nondimensional_force,
temperature,
)
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
gibbs_free_energy_per_link = model.gibbs_free_energy_per_link(force, temperature)
residual_abs =
gibbs_free_energy_per_link / BOLTZMANN_CONSTANT / temperature -
nondimensional_gibbs_free_energy_per_link
residual_rel = residual_abs / nondimensional_gibbs_free_energy_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::nondimensional::relative_gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_relative_gibbs_free_energy =
model.nondimensional_relative_gibbs_free_energy(nondimensional_force)
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
relative_gibbs_free_energy = model.relative_gibbs_free_energy(force, temperature)
residual_abs =
relative_gibbs_free_energy / BOLTZMANN_CONSTANT / temperature -
nondimensional_relative_gibbs_free_energy
residual_rel = residual_abs / nondimensional_relative_gibbs_free_energy
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::nondimensional::relative_gibbs_free_energy_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_relative_gibbs_free_energy_per_link =
model.nondimensional_relative_gibbs_free_energy_per_link(nondimensional_force)
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
relative_gibbs_free_energy_per_link =
model.relative_gibbs_free_energy_per_link(force, temperature)
residual_abs =
relative_gibbs_free_energy_per_link / BOLTZMANN_CONSTANT / temperature -
nondimensional_relative_gibbs_free_energy_per_link
residual_rel = residual_abs / nondimensional_relative_gibbs_free_energy_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::per_link::end_to_end_length" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length = model.end_to_end_length(force, temperature)
end_to_end_length_per_link = model.end_to_end_length_per_link(force, temperature)
residual_abs = end_to_end_length / number_of_links - end_to_end_length_per_link
residual_rel = residual_abs / end_to_end_length_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::per_link::nondimensional_end_to_end_length" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_end_to_end_length =
model.nondimensional_end_to_end_length(nondimensional_force)
nondimensional_end_to_end_length_per_link =
model.nondimensional_end_to_end_length_per_link(nondimensional_force)
residual_abs =
nondimensional_end_to_end_length / number_of_links -
nondimensional_end_to_end_length_per_link
residual_rel = residual_abs / nondimensional_end_to_end_length_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::per_link::gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
gibbs_free_energy = model.gibbs_free_energy(force, temperature)
gibbs_free_energy_per_link = model.gibbs_free_energy_per_link(force, temperature)
residual_abs = gibbs_free_energy / number_of_links - gibbs_free_energy_per_link
residual_rel = residual_abs / gibbs_free_energy_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::per_link::relative_gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
relative_gibbs_free_energy = model.relative_gibbs_free_energy(force, temperature)
relative_gibbs_free_energy_per_link =
model.relative_gibbs_free_energy_per_link(force, temperature)
residual_abs =
relative_gibbs_free_energy / number_of_links -
relative_gibbs_free_energy_per_link
residual_rel = residual_abs / relative_gibbs_free_energy_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::per_link::nondimensional_gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_gibbs_free_energy =
model.nondimensional_gibbs_free_energy(nondimensional_force, temperature)
nondimensional_gibbs_free_energy_per_link =
model.nondimensional_gibbs_free_energy_per_link(
nondimensional_force,
temperature,
)
residual_abs =
nondimensional_gibbs_free_energy / number_of_links -
nondimensional_gibbs_free_energy_per_link
residual_rel = residual_abs / nondimensional_gibbs_free_energy_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::per_link::nondimensional_relative_gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_relative_gibbs_free_energy =
model.nondimensional_relative_gibbs_free_energy(nondimensional_force)
nondimensional_relative_gibbs_free_energy_per_link =
model.nondimensional_relative_gibbs_free_energy_per_link(nondimensional_force)
residual_abs =
nondimensional_relative_gibbs_free_energy / number_of_links -
nondimensional_relative_gibbs_free_energy_per_link
residual_rel = residual_abs / nondimensional_relative_gibbs_free_energy_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::relative::gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
gibbs_free_energy = model.gibbs_free_energy(force, temperature)
gibbs_free_energy_0 = model.gibbs_free_energy(
ZERO * BOLTZMANN_CONSTANT * temperature / link_length,
temperature,
)
relative_gibbs_free_energy = model.relative_gibbs_free_energy(force, temperature)
residual_abs = gibbs_free_energy - gibbs_free_energy_0 - relative_gibbs_free_energy
residual_rel = residual_abs / gibbs_free_energy_0
@test abs(residual_abs) <=
BOLTZMANN_CONSTANT * temperature * number_of_links * parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::relative::gibbs_free_energy_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
gibbs_free_energy_per_link = model.gibbs_free_energy_per_link(force, temperature)
gibbs_free_energy_per_link_0 = model.gibbs_free_energy_per_link(
ZERO * BOLTZMANN_CONSTANT * temperature / link_length,
temperature,
)
relative_gibbs_free_energy_per_link =
model.relative_gibbs_free_energy_per_link(force, temperature)
residual_abs =
gibbs_free_energy_per_link - gibbs_free_energy_per_link_0 -
relative_gibbs_free_energy_per_link
residual_rel = residual_abs / gibbs_free_energy_per_link_0
@test abs(residual_abs) <= BOLTZMANN_CONSTANT * temperature * parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::relative::nondimensional_gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_gibbs_free_energy =
model.nondimensional_gibbs_free_energy(nondimensional_force, temperature)
nondimensional_gibbs_free_energy_0 =
model.nondimensional_gibbs_free_energy(ZERO, temperature)
nondimensional_relative_gibbs_free_energy =
model.nondimensional_relative_gibbs_free_energy(nondimensional_force)
residual_abs =
nondimensional_gibbs_free_energy - nondimensional_gibbs_free_energy_0 -
nondimensional_relative_gibbs_free_energy
residual_rel = residual_abs / nondimensional_gibbs_free_energy_0
@test abs(residual_abs) <= number_of_links * parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::relative::nondimensional_gibbs_free_energy_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_gibbs_free_energy_per_link =
model.nondimensional_gibbs_free_energy_per_link(
nondimensional_force,
temperature,
)
nondimensional_gibbs_free_energy_per_link_0 =
model.nondimensional_gibbs_free_energy_per_link(ZERO, temperature)
nondimensional_relative_gibbs_free_energy_per_link =
model.nondimensional_relative_gibbs_free_energy_per_link(nondimensional_force)
residual_abs =
nondimensional_gibbs_free_energy_per_link -
nondimensional_gibbs_free_energy_per_link_0 -
nondimensional_relative_gibbs_free_energy_per_link
residual_rel = residual_abs / nondimensional_gibbs_free_energy_per_link_0
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::zero::relative_gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
relative_gibbs_free_energy_0 = model.relative_gibbs_free_energy(
ZERO * BOLTZMANN_CONSTANT * temperature / link_length,
temperature,
)
@test abs(relative_gibbs_free_energy_0) <=
ZERO * BOLTZMANN_CONSTANT * temperature * number_of_links
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::zero::relative_gibbs_free_energy_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
relative_gibbs_free_energy_per_link_0 = model.relative_gibbs_free_energy_per_link(
ZERO * BOLTZMANN_CONSTANT * temperature / link_length,
temperature,
)
@test abs(relative_gibbs_free_energy_per_link_0) <=
ZERO * BOLTZMANN_CONSTANT * temperature
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::zero::nondimensional_relative_gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_relative_gibbs_free_energy_0 =
model.nondimensional_relative_gibbs_free_energy(ZERO)
@test abs(nondimensional_relative_gibbs_free_energy_0) <= ZERO * number_of_links
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::zero::nondimensional_relative_gibbs_free_energy_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_relative_gibbs_free_energy_per_link_0 =
model.nondimensional_relative_gibbs_free_energy_per_link(ZERO)
@test abs(nondimensional_relative_gibbs_free_energy_per_link_0) <= ZERO
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::connection::end_to_end_length" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length = model.end_to_end_length(force, temperature)
h = parameters.rel_tol * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length_from_derivative =
-(
model.relative_gibbs_free_energy(force + 0.5 * h, temperature) -
model.relative_gibbs_free_energy(force - 0.5 * h, temperature)
) / h
residual_abs = end_to_end_length - end_to_end_length_from_derivative
residual_rel = residual_abs / end_to_end_length
@test abs(residual_rel) <= h
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::connection::end_to_end_length_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length_per_link = model.end_to_end_length_per_link(force, temperature)
h = parameters.rel_tol * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length_per_link_from_derivative =
-(
model.relative_gibbs_free_energy_per_link(force + 0.5 * h, temperature) -
model.relative_gibbs_free_energy_per_link(force - 0.5 * h, temperature)
) / h
residual_abs =
end_to_end_length_per_link - end_to_end_length_per_link_from_derivative
residual_rel = residual_abs / end_to_end_length_per_link
@test abs(residual_rel) <= h
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::connection::nondimensional_end_to_end_length" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_end_to_end_length =
model.nondimensional_end_to_end_length(nondimensional_force)
h = parameters.rel_tol
nondimensional_end_to_end_length_from_derivative =
-(
model.nondimensional_relative_gibbs_free_energy(
nondimensional_force + 0.5 * h,
) - model.nondimensional_relative_gibbs_free_energy(
nondimensional_force - 0.5 * h,
)
) / h
residual_abs =
nondimensional_end_to_end_length -
nondimensional_end_to_end_length_from_derivative
residual_rel = residual_abs / nondimensional_end_to_end_length
@test abs(residual_rel) <= h
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::connection::nondimensional_end_to_end_length_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_end_to_end_length_per_link =
model.nondimensional_end_to_end_length_per_link(nondimensional_force)
h = parameters.rel_tol
nondimensional_end_to_end_length_per_link_from_derivative =
-(
model.nondimensional_relative_gibbs_free_energy_per_link(
nondimensional_force + 0.5 * h,
) - model.nondimensional_relative_gibbs_free_energy_per_link(
nondimensional_force - 0.5 * h,
)
) / h
residual_abs =
nondimensional_end_to_end_length_per_link -
nondimensional_end_to_end_length_per_link_from_derivative
residual_rel = residual_abs / nondimensional_end_to_end_length_per_link
@test abs(residual_rel) <= h
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::legendre::gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length = model.end_to_end_length(force, temperature)
gibbs_free_energy = model.gibbs_free_energy(force, temperature)
gibbs_free_energy_legendre =
model.legendre.helmholtz_free_energy(force, temperature) -
force * end_to_end_length
residual_abs = gibbs_free_energy - gibbs_free_energy_legendre
residual_rel = residual_abs / gibbs_free_energy
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::legendre::gibbs_free_energy_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length_per_link = model.end_to_end_length_per_link(force, temperature)
gibbs_free_energy_per_link = model.gibbs_free_energy_per_link(force, temperature)
gibbs_free_energy_per_link_legendre =
model.legendre.helmholtz_free_energy_per_link(force, temperature) -
force * end_to_end_length_per_link
residual_abs = gibbs_free_energy_per_link - gibbs_free_energy_per_link_legendre
residual_rel = residual_abs / gibbs_free_energy_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::legendre::relative_gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length = model.end_to_end_length(force, temperature)
end_to_end_length_0 = model.end_to_end_length(
ZERO * BOLTZMANN_CONSTANT * temperature / link_length,
temperature,
)
relative_gibbs_free_energy = model.relative_gibbs_free_energy(force, temperature)
relative_gibbs_free_energy_legendre =
model.legendre.relative_helmholtz_free_energy(force, temperature) -
force * end_to_end_length +
ZERO * BOLTZMANN_CONSTANT * temperature / link_length * end_to_end_length_0
residual_abs = relative_gibbs_free_energy - relative_gibbs_free_energy_legendre
residual_rel = residual_abs / relative_gibbs_free_energy
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::legendre::relative_gibbs_free_energy_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
end_to_end_length_per_link = model.end_to_end_length_per_link(force, temperature)
end_to_end_length_per_link_0 = model.end_to_end_length_per_link(
ZERO * BOLTZMANN_CONSTANT * temperature / link_length,
temperature,
)
relative_gibbs_free_energy_per_link =
model.relative_gibbs_free_energy_per_link(force, temperature)
relative_gibbs_free_energy_per_link_legendre =
model.legendre.relative_helmholtz_free_energy_per_link(force, temperature) -
force * end_to_end_length_per_link +
ZERO * BOLTZMANN_CONSTANT * temperature / link_length *
end_to_end_length_per_link_0
residual_abs =
relative_gibbs_free_energy_per_link -
relative_gibbs_free_energy_per_link_legendre
residual_rel = residual_abs / relative_gibbs_free_energy_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::legendre::nondimensional_gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_end_to_end_length =
model.nondimensional_end_to_end_length(nondimensional_force)
nondimensional_gibbs_free_energy =
model.nondimensional_gibbs_free_energy(nondimensional_force, temperature)
nondimensional_gibbs_free_energy_legendre =
model.legendre.nondimensional_helmholtz_free_energy(
nondimensional_force,
temperature,
) - nondimensional_force * nondimensional_end_to_end_length
residual_abs =
nondimensional_gibbs_free_energy - nondimensional_gibbs_free_energy_legendre
residual_rel = residual_abs / nondimensional_gibbs_free_energy
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::legendre::nondimensional_gibbs_free_energy_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
nondimensional_end_to_end_length_per_link =
model.nondimensional_end_to_end_length_per_link(nondimensional_force)
nondimensional_gibbs_free_energy_per_link =
model.nondimensional_gibbs_free_energy_per_link(
nondimensional_force,
temperature,
)
nondimensional_gibbs_free_energy_per_link_legendre =
model.legendre.nondimensional_helmholtz_free_energy_per_link(
nondimensional_force,
temperature,
) - nondimensional_force * nondimensional_end_to_end_length_per_link
residual_abs =
nondimensional_gibbs_free_energy_per_link -
nondimensional_gibbs_free_energy_per_link_legendre
residual_rel = residual_abs / nondimensional_gibbs_free_energy_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::legendre::nondimensional_relative_gibbs_free_energy" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_end_to_end_length =
model.nondimensional_end_to_end_length(nondimensional_force)
nondimensional_end_to_end_length_0 = model.nondimensional_end_to_end_length(ZERO)
nondimensional_relative_gibbs_free_energy =
model.nondimensional_relative_gibbs_free_energy(nondimensional_force)
nondimensional_relative_gibbs_free_energy_legendre =
model.legendre.nondimensional_relative_helmholtz_free_energy(
nondimensional_force,
) - nondimensional_force * nondimensional_end_to_end_length +
ZERO * nondimensional_end_to_end_length_0
residual_abs =
nondimensional_relative_gibbs_free_energy -
nondimensional_relative_gibbs_free_energy_legendre
residual_rel = residual_abs / nondimensional_relative_gibbs_free_energy
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::legendre::nondimensional_relative_gibbs_free_energy_per_link" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
nondimensional_end_to_end_length_per_link =
model.nondimensional_end_to_end_length_per_link(nondimensional_force)
nondimensional_end_to_end_length_per_link_0 =
model.nondimensional_end_to_end_length_per_link(ZERO)
nondimensional_relative_gibbs_free_energy_per_link =
model.nondimensional_relative_gibbs_free_energy_per_link(nondimensional_force)
nondimensional_relative_gibbs_free_energy_per_link_legendre =
model.legendre.nondimensional_relative_helmholtz_free_energy_per_link(
nondimensional_force,
) - nondimensional_force * nondimensional_end_to_end_length_per_link +
ZERO * nondimensional_end_to_end_length_per_link_0
residual_abs =
nondimensional_relative_gibbs_free_energy_per_link -
nondimensional_relative_gibbs_free_energy_per_link_legendre
residual_rel = residual_abs / nondimensional_relative_gibbs_free_energy_per_link
@test abs(residual_abs) <= parameters.abs_tol &&
abs(residual_rel) <= parameters.rel_tol
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::legendre_connection::force" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
temperature =
parameters.temperature_reference + parameters.temperature_scale * (0.5 - rand())
force = nondimensional_force * BOLTZMANN_CONSTANT * temperature / link_length
h = parameters.rel_tol * BOLTZMANN_CONSTANT * temperature / link_length
force_from_derivative =
(
model.legendre.relative_helmholtz_free_energy(
force + 0.5 * h,
temperature,
) -
model.legendre.relative_helmholtz_free_energy(force - 0.5 * h, temperature)
) / (
model.end_to_end_length(force + 0.5 * h, temperature) -
model.end_to_end_length(force - 0.5 * h, temperature)
)
residual_abs = force - force_from_derivative
residual_rel = residual_abs / force
@test abs(residual_rel) <= h
end
end
@testset "physics::single_chain::wlc::thermodynamics::isotensional::test::legendre_connection::nondimensional_force" begin
for _ = 1:parameters.number_of_loops
number_of_links =
rand(parameters.number_of_links_minimum:parameters.number_of_links_maximum)
link_length =
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
hinge_mass =
parameters.hinge_mass_reference + parameters.hinge_mass_scale * (0.5 - rand())
persistance_length =
parameters.persistance_length_reference +
parameters.persistance_length_scale * (0.5 - rand())
model = WLC(number_of_links, link_length, hinge_mass, persistance_length)
nondimensional_force =
parameters.nondimensional_force_reference +
parameters.nondimensional_force_scale * (0.5 - rand())
h = parameters.rel_tol
nondimensional_force_from_derivative =
(
model.legendre.nondimensional_relative_helmholtz_free_energy_per_link(
nondimensional_force + 0.5 * h,
) - model.legendre.nondimensional_relative_helmholtz_free_energy_per_link(
nondimensional_force - 0.5 * h,
)
) / (
model.nondimensional_end_to_end_length_per_link(
nondimensional_force + 0.5 * h,
) - model.nondimensional_end_to_end_length_per_link(
nondimensional_force - 0.5 * h,
)
)
residual_abs = nondimensional_force - nondimensional_force_from_derivative
residual_rel = residual_abs / nondimensional_force
@test abs(residual_rel) <= h
end
end
end