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hubatsch
Frap Theory
Commits
02a3d2fb
Commit
02a3d2fb
authored
4 years ago
by
Lars Hubatsch
Browse files
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Plain Diff
Adding Gamma_0 / mobility to FP equation.
parent
88afc875
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Changes
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4 changed files
Half_Frap_Phi_u.ipynb
+37
-9
37 additions, 9 deletions
Half_Frap_Phi_u.ipynb
Meshes/single_drop_1_5.geo
+14
-0
14 additions, 0 deletions
Meshes/single_drop_1_5.geo
Meshes/single_drop_coverslip.geo
+1
-1
1 addition, 1 deletion
Meshes/single_drop_coverslip.geo
fem_sol.py
+16
-7
16 additions, 7 deletions
fem_sol.py
with
68 additions
and
17 deletions
Half_Frap_Phi_u.ipynb
+
37
−
9
View file @
02a3d2fb
...
...
@@ -93,12 +93,36 @@
"metadata": {},
"outputs": [],
"source": [
"f_coverslip = frap_solver([4, 4, 0.5], 'Meshes/single_drop_coverslip.xml',\n",
" name='FRAP_coverslip', T=300)\n",
"f_coverslip.solve_frap()\n",
"f_symmetric = frap_solver([4, 4, 4], 'Meshes/single_drop_symmetric.xml',\n",
" name='FRAP_symmetric', T=300)\n",
"f_symmetric.solve_frap()"
"f_0 = frap_solver([4, 4, 0.5], 'Meshes/single_drop_coverslip.xml',\n",
" name='FRAP_coverslip', T=300, phi_tot_ext=0.001)\n",
"f_0.solve_frap()\n",
"\n",
"f_1 = frap_solver([4, 4, 1.5], 'Meshes/single_drop_1_5.xml',\n",
" name='FRAP_symmetric', T=300, phi_tot_ext=0.001)\n",
"f_1.solve_frap()\n",
"\n",
"f_2 = frap_solver([4, 4, 4], 'Meshes/single_drop_symmetric.xml',\n",
" name='FRAP_symmetric', T=300, phi_tot_ext=0.001)\n",
"f_2.solve_frap()"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"f_3 = frap_solver([4, 4, 0.5], 'Meshes/single_drop_coverslip.xml',\n",
" name='FRAP_symmetric', T=100, phi_tot_ext=0.01)\n",
"f_3.solve_frap()\n",
"\n",
"f_4 = frap_solver([4, 4, 1.5], 'Meshes/single_drop_1_5.xml',\n",
" name='FRAP_symmetric', T=100, phi_tot_ext=0.01)\n",
"f_4.solve_frap()\n",
"\n",
"f_5 = frap_solver([4, 4, 4], 'Meshes/single_drop_symmetric.xml',\n",
" name='FRAP_symmetric', T=100, phi_tot_ext=0.01)\n",
"f_5.solve_frap()"
]
},
{
...
...
@@ -107,8 +131,12 @@
"metadata": {},
"outputs": [],
"source": [
"plt.plot([np.mean(x[1:49])/0.8 for x in f_coverslip.cs], label='coverslip')\n",
"plt.plot([np.mean(x[1:49])/0.8 for x in f_symmetric.cs], label='symmetric')\n",
"plt.plot([np.mean(x[1:49])/0.99 for x in f_0.cs], label='dist=0.5')\n",
"plt.plot([np.mean(x[1:49])/0.99 for x in f_1.cs], label='dist=1.5')\n",
"plt.plot([np.mean(x[1:49])/0.99 for x in f_2.cs], label='dist=4')\n",
"plt.plot([np.mean(x[1:49])/0.99 for x in f_3.cs], label='dist=0.5, G_out=10')\n",
"plt.plot([np.mean(x[1:49])/0.99 for x in f_4.cs], label='dist=1.5, G_out=10')\n",
"plt.plot([np.mean(x[1:49])/0.99 for x in f_5.cs], label='dist=4, G_out=10')\n",
"plt.plot(range(0, 300), np.ones(300), linestyle='--', color='k')\n",
"plt.ylim((0, 1.1))\n",
"plt.xlim((0, 300))\n",
...
...
@@ -121,7 +149,7 @@
"metadata": {},
"outputs": [],
"source": [
"
f_coverslip
.cs"
"
plt.plot(np.transpose(f_3
.cs
))
"
]
},
{
...
...
%% Cell type:markdown id: tags:
### FRAP geometries
%% Cell type:code id: tags:
```
python
from
fem_sol
import
frap_solver
import
matplotlib.pyplot
as
plt
import
numpy
as
np
```
%% Cell type:code id: tags:
```
python
font
=
{
'
family
'
:
'
normal
'
,
'
weight
'
:
'
normal
'
,
'
size
'
:
12
}
import
matplotlib
matplotlib
.
rc
(
'
font
'
,
**
font
)
def
make_graph_pretty
(
xlab
,
ylab
,
loc
=
0
,
markerfirst
=
True
,
handlelength
=
None
):
color1
=
'
black
'
#'darkorange'
color2
=
(
0
,
0
,
0
)
color2
=
(
1
,
1
,
1
)
ax
=
plt
.
gca
()
ax
.
tick_params
(
axis
=
'
x
'
,
colors
=
color1
,
which
=
'
both
'
)
ax
.
tick_params
(
axis
=
'
y
'
,
colors
=
color1
,
which
=
'
both
'
)
plt
.
xlabel
(
xlab
,
color
=
color1
)
plt
.
ylabel
(
ylab
,
color
=
color1
)
ax
.
spines
[
'
left
'
].
set_color
(
color1
)
ax
.
spines
[
'
bottom
'
].
set_color
(
color1
)
# Hide the right and top spines
ax
.
spines
[
'
right
'
].
set_visible
(
False
)
ax
.
spines
[
'
top
'
].
set_visible
(
False
)
ax
.
set_facecolor
(
color2
)
plt
.
gcf
().
subplots_adjust
(
bottom
=
0.17
,
left
=
0.15
)
plt
.
legend
(
frameon
=
False
,
loc
=
loc
,
labelspacing
=
0.1
,
markerfirst
=
markerfirst
,
handlelength
=
handlelength
)
```
%% Cell type:code id: tags:
```
python
m
=
[
'
Meshes/multi_drop_gauss.xml
'
,
'
Meshes/multi_drop_gauss_med.xml
'
,
'
Meshes/multi_drop_gauss_far.xml
'
]
point_lists
=
[[[
4
,
4.5
,
0.5
],
[
4
,
3.5
,
0.5
],
[
3.5
,
4
,
0.5
],
[
4.5
,
4
,
0.5
]],
[[
4
,
5
,
0.5
],
[
4
,
3
,
0.5
],
[
3
,
4
,
0.5
],
[
5
,
4
,
0.5
]],
[[
4
,
5.5
,
0.5
],
[
4
,
2.5
,
0.5
],
[
2.5
,
4
,
0.5
],
[
5.5
,
4
,
0.5
]]]
f_i
=
[]
for
j
in
range
(
len
(
m
)):
f
=
frap_solver
([
4
,
4
,
0.5
],
m
[
j
],
name
=
str
(
j
),
point_list
=
point_lists
[
j
],
T
=
3
)
f
.
solve_frap
()
f_i
.
append
(
f
)
```
%% Cell type:code id: tags:
```
python
for
i
in
range
(
len
(
cs
[
0
])):
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.8
for
x
in
cs
[
0
][
0
:
i
]],
label
=
'
dist=0.5
'
)
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.8
for
x
in
cs
[
1
][
0
:
i
]],
label
=
'
dist=1
'
)
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.8
for
x
in
cs
[
2
][
0
:
i
]],
label
=
'
dist=1.5
'
)
plt
.
plot
(
range
(
0
,
100
),
np
.
ones
(
100
),
linestyle
=
'
--
'
,
color
=
'
k
'
)
plt
.
ylim
((
0
,
1.1
))
plt
.
xlim
((
0
,
100
))
make_graph_pretty
(
'
t (a.u.)
'
,
'
intensity (a.u)
'
,
loc
=
4
)
# plt.savefig('img_'+str(i)+'.png', dpi=300)
plt
.
show
()
```
%% Cell type:code id: tags:
```
python
f_coverslip
=
frap_solver
([
4
,
4
,
0.5
],
'
Meshes/single_drop_coverslip.xml
'
,
name
=
'
FRAP_coverslip
'
,
T
=
300
)
f_coverslip
.
solve_frap
()
f_symmetric
=
frap_solver
([
4
,
4
,
4
],
'
Meshes/single_drop_symmetric.xml
'
,
name
=
'
FRAP_symmetric
'
,
T
=
300
)
f_symmetric
.
solve_frap
()
f_0
=
frap_solver
([
4
,
4
,
0.5
],
'
Meshes/single_drop_coverslip.xml
'
,
name
=
'
FRAP_coverslip
'
,
T
=
300
,
phi_tot_ext
=
0.001
)
f_0
.
solve_frap
()
f_1
=
frap_solver
([
4
,
4
,
1.5
],
'
Meshes/single_drop_1_5.xml
'
,
name
=
'
FRAP_symmetric
'
,
T
=
300
,
phi_tot_ext
=
0.001
)
f_1
.
solve_frap
()
f_2
=
frap_solver
([
4
,
4
,
4
],
'
Meshes/single_drop_symmetric.xml
'
,
name
=
'
FRAP_symmetric
'
,
T
=
300
,
phi_tot_ext
=
0.001
)
f_2
.
solve_frap
()
```
%% Cell type:code id: tags:
```
python
f_3
=
frap_solver
([
4
,
4
,
0.5
],
'
Meshes/single_drop_coverslip.xml
'
,
name
=
'
FRAP_symmetric
'
,
T
=
100
,
phi_tot_ext
=
0.01
)
f_3
.
solve_frap
()
f_4
=
frap_solver
([
4
,
4
,
1.5
],
'
Meshes/single_drop_1_5.xml
'
,
name
=
'
FRAP_symmetric
'
,
T
=
100
,
phi_tot_ext
=
0.01
)
f_4
.
solve_frap
()
f_5
=
frap_solver
([
4
,
4
,
4
],
'
Meshes/single_drop_symmetric.xml
'
,
name
=
'
FRAP_symmetric
'
,
T
=
100
,
phi_tot_ext
=
0.01
)
f_5
.
solve_frap
()
```
%% Cell type:code id: tags:
```
python
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.8
for
x
in
f_coverslip
.
cs
],
label
=
'
coverslip
'
)
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.8
for
x
in
f_symmetric
.
cs
],
label
=
'
symmetric
'
)
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.99
for
x
in
f_0
.
cs
],
label
=
'
dist=0.5
'
)
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.99
for
x
in
f_1
.
cs
],
label
=
'
dist=1.5
'
)
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.99
for
x
in
f_2
.
cs
],
label
=
'
dist=4
'
)
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.99
for
x
in
f_3
.
cs
],
label
=
'
dist=0.5, G_out=10
'
)
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.99
for
x
in
f_4
.
cs
],
label
=
'
dist=1.5, G_out=10
'
)
plt
.
plot
([
np
.
mean
(
x
[
1
:
49
])
/
0.99
for
x
in
f_5
.
cs
],
label
=
'
dist=4, G_out=10
'
)
plt
.
plot
(
range
(
0
,
300
),
np
.
ones
(
300
),
linestyle
=
'
--
'
,
color
=
'
k
'
)
plt
.
ylim
((
0
,
1.1
))
plt
.
xlim
((
0
,
300
))
make_graph_pretty
(
'
t (a.u.)
'
,
'
intensity (a.u)
'
,
loc
=
4
)
```
%% Cell type:code id: tags:
```
python
f_coverslip
.
cs
plt
.
plot
(
np
.
transpose
(
f_3
.
cs
))
```
%% Cell type:code id: tags:
```
python
```
...
...
This diff is collapsed.
Click to expand it.
Meshes/single_drop_1_5.geo
0 → 100644
+
14
−
0
View file @
02a3d2fb
SetFactory("OpenCASCADE");
Box(1) = {0, 0, 0, 8, 8, 8};
Physical Surface("surfacedomain") = {1};
Physical Volume("volumedomain") = {1};
Field[3] = MathEval;
Field[3].F = ".5 - (.5-0.01)*exp(-(1./0.025) *((sqrt((x-4)*(x-4)+(y-4)*(y-4)+(z-1.5)*(z-1.5))-0.25))*((sqrt((x-4)*(x-4)+(y-4)*(y-4)+(z-1.5)*(z-1.5))-0.25)))";
Field[8] = Min;
Field[8].FieldsList = {3};
Mesh.Algorithm = 1;
Background Field = 8;
\ No newline at end of file
This diff is collapsed.
Click to expand it.
Meshes/single_drop_coverslip.geo
+
1
−
1
View file @
02a3d2fb
...
...
@@ -10,5 +10,5 @@ Field[3].F = ".5 - (.5-0.01)*exp(-(1./0.025) *((sqrt((x-4)*(x-4)+(y-4)*(y-4)+(z-
Field[8] = Min;
Field[8].FieldsList = {3};
Mesh.Algorithm =
5
;
Mesh.Algorithm =
1
;
Background Field = 8;
\ No newline at end of file
This diff is collapsed.
Click to expand it.
fem_sol.py
+
16
−
7
View file @
02a3d2fb
...
...
@@ -6,7 +6,7 @@ import time
set_log_level
(
40
)
def
point_expr
(
p_c
,
p_list
,
phi_tot_int
,
phi_tot_ext
,
P
hi_
tot_
init
,
def
point_expr
(
p_c
,
p_list
,
phi_tot_int
,
phi_tot_ext
,
p
hi_init
,
rad_drop
,
tol
):
'''
Create dolfin expression for initial condition of Phi or
...
...
@@ -16,7 +16,7 @@ def point_expr(p_c, p_list, phi_tot_int, phi_tot_ext, Phi_tot_init,
'''
s
=
(
'
sqrt(pow((x[0]-
'
+
str
(
p_c
[
0
])
+
'
),2)+pow((x[1]-
'
+
str
(
p_c
[
1
])
+
'
),2)+
'
+
'
pow((x[2]-
'
+
str
(
p_c
[
2
])
+
'
),2))
'
)
s
=
s
+
'
<=
'
+
str
(
rad_drop
)
+
'
?
'
+
str
(
P
hi_
tot_
init
)
+
'
:
'
s
=
s
+
'
<=
'
+
str
(
rad_drop
)
+
'
?
'
+
str
(
p
hi_init
)
+
'
:
'
for
p
in
p_list
:
y
=
(
'
sqrt(pow((x[0]-
'
+
str
(
p
[
0
])
+
'
),2)+pow((x[1]-
'
+
str
(
p
[
1
])
+
'
),2)+
'
+
'
pow((x[2]-
'
+
str
(
p
[
2
])
+
'
),2))
'
)
...
...
@@ -27,9 +27,9 @@ def point_expr(p_c, p_list, phi_tot_int, phi_tot_ext, Phi_tot_init,
class
frap_solver
:
def
__init__
(
self
,
cent_poin
,
mesh
,
tol
=
1E-14
,
dt
=
0.1
,
name
=
'
FRAP
'
,
phi_tot_int
=
0.99
,
phi_tot_ext
=
0.001
,
phi_tot_initial
=
0
,
point_list
=
[],
rad_drop
=
0.25
,
T
=
100
):
def
__init__
(
self
,
cent_poin
,
mesh
,
tol
=
1E-14
,
dt
=
0.1
,
G_in
=
1
,
G_out
=
1
,
name
=
'
FRAP
'
,
phi_tot_int
=
0.99
,
phi_tot_ext
=
0.001
,
phi_tot_initial
=
0
,
point_list
=
[],
rad_drop
=
0.25
,
T
=
100
):
'''
Initialise solver
'''
...
...
@@ -38,6 +38,8 @@ class frap_solver:
self
.
name
=
name
# name of output file
self
.
tol
=
tol
# Tolerance for expressions
self
.
dt
=
dt
# Time step
self
.
G_in
=
G_in
# Gamma inside, mobility
self
.
G_out
=
G_out
# Gamma outside, mobility
self
.
phi_tot_int
=
phi_tot_int
# Value inside droplet
self
.
phi_tot_ext
=
phi_tot_ext
# Value outside droplet
self
.
phi_tot_initial
=
phi_tot_initial
# Initial value inside droplet
...
...
@@ -67,10 +69,17 @@ class frap_solver:
self
.
phi_tot_ext
,
self
.
phi_tot_int
,
self
.
rad_drop
,
self
.
tol
)
Phi_tot
=
interpolate
(
Phi_tot
,
V
)
Gamma_0
=
interpolate
(
Expression
(
'
(x[0]-xc)*(x[0]-xc)+
'
'
(x[1]-yc)*(x[1]-yc)+
'
+
'
(x[2]-zc)*(x[2]-zc) <= rad_drop*rad_drop ?
'
+
'
G_in : G_out
'
,
degree
=
2
,
rad_drop
=
self
.
rad_drop
,
G_in
=
self
.
G_in
,
G_out
=
self
.
G_out
,
xc
=
self
.
cent_poin
[
0
],
yc
=
self
.
cent_poin
[
1
],
zc
=
self
.
cent_poin
[
2
]),
V
)
Form
=
(
inner
((
Phi_u
-
Phi_u0
)
/
self
.
dt
,
v
)
-
inner
(((
1
-
Phi_tot
)
/
Phi_tot
)
*
Phi_u
*
grad
(
Phi_tot
)
-
(
1
-
Phi_tot
)
*
grad
(
Phi_u
),
grad
(
v
)))
*
dx
inner
(
Gamma_0
*
((
1
-
Phi_tot
)
/
Phi_tot
)
*
Phi_u
*
grad
(
Phi_tot
)
-
Gamma_0
*
(
1
-
Phi_tot
)
*
grad
(
Phi_u
),
grad
(
v
)))
*
dx
t
=
0
cFile
=
XDMFFile
(
self
.
name
+
'
.xdmf
'
)
...
...
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