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Jan Habscheid
fxdgm
Commits
c9f93c2d
Commit
c9f93c2d
authored
4 months ago
by
Jan Habscheid
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'''
Tests the Eq02 implementation in src.Eq02.py
'''
from
src.Eq02
import
solve_System_2eq
import
numpy
as
np
# Define the testing tolerance
rtol
=
1e-10
atol
=
1e-10
# Define parameter to use in the test
phi_left
=
10.0
phi_right
=
0.0
p_right
=
0.0
y_A_R
=
0.01
y_C_R
=
0.01
z_A
=
-
1.0
z_C
=
1.0
K
=
'
incompressible
'
Lambda2
=
8.553e-6
a2
=
7.5412e-4
solvation
=
0
number_cells
=
32
relax_param
=
.
1
rtol
=
1e-4
max_iter
=
500
y_A
,
y_C
,
phi
,
p
,
x
=
solve_System_2eq
(
phi_left
,
phi_right
,
p_right
,
z_A
,
z_C
,
y_A_R
,
y_C_R
,
K
,
Lambda2
,
a2
,
number_cells
,
solvation
=
solvation
,
relax_param
=
relax_param
,
x0
=
0
,
x1
=
1
,
refinement_style
=
'
uniform
'
,
return_type
=
'
Vector
'
,
max_iter
=
max_iter
,
rtol
=
rtol
)
y_A_NP
,
y_C_NP
,
phi_NP
,
p_NP
,
x_NP
=
solve_System_2eq
(
phi_left
,
phi_right
,
p_right
,
z_A
,
z_C
,
y_A_R
,
y_C_R
,
K
,
Lambda2
,
a2
,
number_cells
,
solvation
=
solvation
,
relax_param
=
relax_param
,
PoissonBoltzmann
=
True
,
x0
=
0
,
x1
=
1
,
refinement_style
=
'
uniform
'
,
return_type
=
'
Vector
'
,
max_iter
=
max_iter
,
rtol
=
rtol
)
solvation
=
5
y_A_solvation
,
y_C_solvation
,
phi_solvation
,
p_solvation
,
x_solvation
=
solve_System_2eq
(
phi_left
,
phi_right
,
p_right
,
z_A
,
z_C
,
y_A_R
,
y_C_R
,
K
,
Lambda2
,
a2
,
number_cells
,
solvation
=
solvation
,
relax_param
=
relax_param
,
x0
=
0
,
x1
=
1
,
refinement_style
=
'
log
'
,
return_type
=
'
Vector
'
,
max_iter
=
max_iter
,
rtol
=
rtol
)
solvation
=
0
K
=
5_000
y_A_compressible
,
y_C_compressible
,
phi_compressible
,
p_compressible
,
x_compressible
=
solve_System_2eq
(
phi_left
,
phi_right
,
p_right
,
z_A
,
z_C
,
y_A_R
,
y_C_R
,
K
,
Lambda2
,
a2
,
number_cells
,
solvation
=
solvation
,
relax_param
=
relax_param
,
x0
=
0
,
x1
=
1
,
refinement_style
=
'
hard_log
'
,
return_type
=
'
Vector
'
,
max_iter
=
max_iter
,
rtol
=
rtol
)
np
.
savez
(
'
tests/TestData/Eq02.npz
'
,
y_A
=
y_A
,
y_C
=
y_C
,
phi
=
phi
,
p
=
p
,
x
=
x
,
y_A_NP
=
y_A_NP
,
y_C_NP
=
y_C_NP
,
phi_NP
=
phi_NP
,
p_NP
=
p_NP
,
x_NP
=
x_NP
,
y_A_solvation
=
y_A_solvation
,
y_C_solvation
=
y_C_solvation
,
phi_solvation
=
phi_solvation
,
p_solvation
=
p_solvation
,
x_solvation
=
x_solvation
,
y_A_compressible
=
y_A_compressible
,
y_C_compressible
=
y_C_compressible
,
phi_compressible
=
phi_compressible
,
p_compressible
=
p_compressible
,
x_compressible
=
x_compressible
)
\ No newline at end of file
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