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Commit caad85e9 authored by Giovanni La Mura's avatar Giovanni La Mura
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Check whether sphere coordinates are required and add SPHERE development yaml configuration

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src/scripts/model_maker.py
+ 22
− 20
View file @ caad85e9
...@@ -168,6 +168,7 @@ def load_model(model_file): ...@@ -168,6 +168,7 @@ def load_model(model_file):
print("ERROR: declared array of optical constants does not match configurations!") print("ERROR: declared array of optical constants does not match configurations!")
return (None, None) return (None, None)
else: else:
if (sconf['idfc'] == 0):
sconf['dielec_id'] = [ sconf['dielec_id'] = [
[ 0 for j in range(max_layers)] for i in range(sconf['configurations']) [ 0 for j in range(max_layers)] for i in range(sconf['configurations'])
] ]
...@@ -203,7 +204,7 @@ def load_model(model_file): ...@@ -203,7 +204,7 @@ def load_model(model_file):
for di in range(max_layers): for di in range(max_layers):
for dj in range(sconf['configurations']): for dj in range(sconf['configurations']):
if (len(model['material_settings']['diel_const'][dj]) / 2 != sconf['nshl'][dj]): if (len(model['material_settings']['diel_const'][dj]) / 2 != sconf['nshl'][dj]):
print("ERROR: dielectric constants for type %dj do not match number of layers!"%(dj + 1)) print("ERROR: dielectric constants for type %d do not match number of layers!"%(dj + 1))
return (None, None) return (None, None)
else: else:
sconf['rdc0'][di][dj][0] = float(model['material_settings']['diel_const'][dj][2 * di]) sconf['rdc0'][di][dj][0] = float(model['material_settings']['diel_const'][dj][2 * di])
...@@ -289,6 +290,7 @@ def load_model(model_file): ...@@ -289,6 +290,7 @@ def load_model(model_file):
gconf['inpol'] = 0 if str_polar == "LINEAR" else 1 gconf['inpol'] = 0 if str_polar == "LINEAR" else 1
gconf['npnt'] = int(model['geometry_settings']['npnt']) gconf['npnt'] = int(model['geometry_settings']['npnt'])
gconf['npntts'] = int(model['geometry_settings']['npntts']) gconf['npntts'] = int(model['geometry_settings']['npntts'])
if (gconf['application'] != "SPHERE"):
gconf['iavm'] = int(model['geometry_settings']['iavm']) gconf['iavm'] = int(model['geometry_settings']['iavm'])
gconf['isam'] = int(model['geometry_settings']['isam']) gconf['isam'] = int(model['geometry_settings']['isam'])
gconf['jwtm'] = int(model['output_settings']['jwtm']) gconf['jwtm'] = int(model['output_settings']['jwtm'])
...@@ -304,6 +306,9 @@ def load_model(model_file): ...@@ -304,6 +306,9 @@ def load_model(model_file):
gconf['phs'] = float(model['geometry_settings']['sc_ph_start']) gconf['phs'] = float(model['geometry_settings']['sc_ph_start'])
gconf['phsstp'] = float(model['geometry_settings']['sc_ph_step']) gconf['phsstp'] = float(model['geometry_settings']['sc_ph_step'])
gconf['phslst'] = float(model['geometry_settings']['sc_ph_end']) gconf['phslst'] = float(model['geometry_settings']['sc_ph_end'])
gconf['vec_sph_x'] = [0.0 for i in range(gconf['nsph'])]
gconf['vec_sph_y'] = [0.0 for i in range(gconf['nsph'])]
gconf['vec_sph_z'] = [0.0 for i in range(gconf['nsph'])]
if (gconf['application'] != "SPHERE" or gconf['nsph'] != 1): if (gconf['application'] != "SPHERE" or gconf['nsph'] != 1):
# TODO: put here a test to allow for empty vectors in case of random generation # TODO: put here a test to allow for empty vectors in case of random generation
if (len(model['geometry_settings']['x_coords']) != gconf['nsph']): if (len(model['geometry_settings']['x_coords']) != gconf['nsph']):
...@@ -315,9 +320,6 @@ def load_model(model_file): ...@@ -315,9 +320,6 @@ def load_model(model_file):
if (len(model['geometry_settings']['z_coords']) != gconf['nsph']): if (len(model['geometry_settings']['z_coords']) != gconf['nsph']):
print("ERROR: Z coordinates do not match the number of spheres!") print("ERROR: Z coordinates do not match the number of spheres!")
return (None, None) return (None, None)
gconf['vec_sph_x'] = [0.0 for i in range(gconf['nsph'])]
gconf['vec_sph_y'] = [0.0 for i in range(gconf['nsph'])]
gconf['vec_sph_z'] = [0.0 for i in range(gconf['nsph'])]
for si in range(gconf['nsph']): for si in range(gconf['nsph']):
gconf['vec_sph_x'][si] = float(model['geometry_settings']['x_coords'][si]) gconf['vec_sph_x'][si] = float(model['geometry_settings']['x_coords'][si])
gconf['vec_sph_y'][si] = float(model['geometry_settings']['y_coords'][si]) gconf['vec_sph_y'][si] = float(model['geometry_settings']['y_coords'][si])
...@@ -507,7 +509,7 @@ def write_legacy_sconf(conf): ...@@ -507,7 +509,7 @@ def write_legacy_sconf(conf):
output = open(out_file, 'w') output = open(out_file, 'w')
str_line = " {0:3d}{1:3d}\n".format(nsph, ies) str_line = " {0:3d}{1:3d}\n".format(nsph, ies)
output.write(str_line) output.write(str_line)
str_line = " {0:12.7E} {1:12.7E} {2:12.7E} {3:2d} {4:7d} {5:4d} {6:3d}\n".format( str_line = " {0:12.7E} {1:12.7E} {2:12.7E} {3:2d} {4:4d} {5:4d} {6:3d}\n".format(
exdc, wp, xip, idfc, nxi, instpc, xi_flag exdc, wp, xip, idfc, nxi, instpc, xi_flag
) )
output.write(str_line) output.write(str_line)
......
test_data/cluster/config_dev.yml 0 → 100644
+ 146
− 0
View file @ caad85e9
system_settings:
# Limit on host RAM use in Gb (0 for no configuration limit)
max_host_ram : 0
# Limit on GPU RAM use in Gb ( 0 for no configuration limit)
max_gpu_ram : 0
input_settings:
# Folder to write the code input configuration files
input_folder : "."
# Name of the scatterer description file
spheres_file : "DEDFB"
# Name of the geometry description file
geometry_file: "DCLU"
output_settings:
# Folder for the code output storage
output_folder: "test_subdir"
# Name of the main output file
output_name : "c_OCLU"
# Requested output formats
formats : [ "LEGACY", "HDF5" ]
# Index of the scale for transition matrix output
jwtm : 1
particle_settings:
# What application to use (SPHERE | CLUSTER | INCLUSION)
application : "CLUSTER"
# Number of spheres
n_spheres : 4
# Number of sphere types
n_types : 4
# Vector of sphere type identifiers (what type is each sphere)
sph_types : [ 1, 2, 3, 4 ]
# Vector of layers in types (how many layers in each type)
n_layers : [ 1, 1, 1, 1 ]
# Spherical monomer radii in m (one size for each type)
radii : [ 5.0e-8, 4.0e-8, 7.5e-8, 3.0e-8 ]
# Layer fractional radii (one per layer in each type)
rad_frac : [ [ 1.0 ], [ 1.0 ], [ 1.0 ], [ 1.0 ] ]
# Index of the dielectric constants (one per layer in each type)
#
# 1 is first file in `dielec_file`, 2 is second ...
dielec_id : [ [ 1 ], [ 1 ], [ 1 ], [ 1 ] ]
material_settings:
diel_flag : -1
# External medium dielectric constant
extern_diel : 2.3104e0
# Dielectric constant files folder
dielec_path : "."
# List of dielectric constant files (used if diel_flag = 0)
dielec_file : [ ]
# Dielectric constant files format (same for all files)
dielec_fmt : [ "CSV" ]
# Matching method between optical constants and radiation wavelengths
#
# INTERPOLATE: the constants are interpolated on wavelengths
# GRID: only the wavelengths with defined constants are computed
#
match_mode : "GRID"
# Reference dielectric constants (used if diel_flag = -1)
#
# One real and one imaginary part for each layer in each type.
diel_const : [
[ 3.25e00, 0.00e00 ],
[ 3.25e00, 0.00e00 ],
[ 3.25e00, 0.00e00 ],
[ 3.25e00, 0.00e00 ]
]
radiation_settings:
# Radiation field polarization (LINEAR | CIRCULAR)
polarization: "LINEAR"
# First scale to be used
scale_start : 1.0e00
# Last scale to be used
scale_end : 2.0e00
# Calculation step (overridden if `match_mode` is GRID)
scale_step : 1.0e00
# Peak Omega
wp : 1.372e15
# Peak scale
xip : 1.0e00
# Define scale explicitly (0) or in equal steps (1)
step_flag : 0
# Type of scaling variable
scale_name : "XI"
geometry_settings:
# Maximum internal field expansion
li : 8
# Maximum external field expansion (not used by SPHERE)
le : 8
# Number of transition layer integration points
npnt : 149
# Number of non transition layer integration points
npntts : 300
# Averaging mode
iavm : 0
# Meridional plane flag
isam : 0
# Starting incidence azimuth angle
in_th_start : 79.0
# Incidence azimuth angle incremental step
in_th_step : 10.0
# Ending incidence azimuth angle
in_th_end : 89.0
# Starting incidence elevation angle
in_ph_start : 0.0
# Incidence elevation angle incremental step
in_ph_step : 10.0
# Ending incidence elevation angle
in_ph_end : 10.0
# Starting scattered azimuth angle
sc_th_start : 34.0
# Scattered azimuth angle incremental step
sc_th_step : 15.0
# Ending scattered azimuth angle
sc_th_end : 49.0
# Starting scattered elevation angle
sc_ph_start : 5.0
# Scattered elevation angle incremental step
sc_ph_step : 5.0
# Ending scattered elevation angle
sc_ph_end : 10.0
# Vector of sphere X coordinates (one per sphere or empty for random)
x_coords : [
0.00e00,
0.00e00,
1.18882e-07,
-5.656855e-08,
]
# Vector of sphere Y coordinates (one per sphere or empty for random)
y_coords : [
3.00e-08,
3.00e-08,
3.00e-08,
-2.656855e-08
]
# Vector of sphere Z coordinates (one per sphere or empty for random)
z_coords : [
0.00e00,
9.00e-08,
3.8627e-08,
0.00e00
]
test_data/config_example.yml
+ 64
− 41
View file @ caad85e9
...@@ -10,13 +10,13 @@ input_settings: ...@@ -10,13 +10,13 @@ input_settings:
# Name of the scatterer description file # Name of the scatterer description file
spheres_file : "DEDFB" spheres_file : "DEDFB"
# Name of the geometry description file # Name of the geometry description file
geometry_file: "DSPH" geometry_file: "DCLU"
output_settings: output_settings:
# Folder for the code output storage # Folder for the code output storage
output_folder: "test_subdir" output_folder: "test_subdir"
# Name of the main output file # Name of the main output file
output_name : "c_OSPH" output_name : "c_OCLU"
# Requested output formats # Requested output formats
formats : [ "LEGACY", "HDF5" ] formats : [ "LEGACY", "HDF5" ]
# Index of the scale for transition matrix output # Index of the scale for transition matrix output
...@@ -24,64 +24,73 @@ output_settings: ...@@ -24,64 +24,73 @@ output_settings:
particle_settings: particle_settings:
# What application to use (SPHERE | CLUSTER | INCLUSION) # What application to use (SPHERE | CLUSTER | INCLUSION)
application : "SPHERE" application : "CLUSTER"
# Number of spheres # Number of spheres
n_spheres : 1 n_spheres : 4
# Number of sphere types # Number of sphere types
n_types : 1 n_types : 4
# Vector of sphere type identifiers (what type is each sphere) # Vector of sphere type identifiers (what type is each sphere)
sph_types : [ 1 ] sph_types : [ 1, 2, 3, 4 ]
# Vector of layers in types (how many layers in each type) # Vector of layers in types (how many layers in each type)
n_layers : [ 2 ] n_layers : [ 1, 1, 1, 1 ]
# Spherical monomer radii in m (one size for each type) # Spherical monomer radii in m (one size for each type)
radii : [ 2.5e-7 ] radii : [ 5.0e-8, 4.0e-8, 7.5e-8, 3.0e-8 ]
# Layer fractional radii (one per layer in each type) # Layer fractional radii (one per layer in each type)
rad_frac : [ [ 0.5, 1.0 ] ] rad_frac : [ [ 1.0 ], [ 1.0 ], [ 1.0 ], [ 1.0 ] ]
# Index of the dielectric constants (one per layer in each type) # Index of the dielectric constants (one per layer in each type)
# #
# 1 is first file in `dielec_file`, 2 is second ... # 1 is first file in `dielec_file`, 2 is second ...
dielec_id : [ [ 1, 2 ] ] dielec_id : [ [ 1 ], [ 1 ], [ 1 ], [ 1 ] ]
material_settings: material_settings:
diel_flag : 0 diel_flag : -1
# External medium dielectric constant # External medium dielectric constant
extern_diel : 1.0e0 extern_diel : 2.3104e0
# Dielectric constant files folder # Dielectric constant files folder
dielec_path : "../" dielec_path : "."
# List of dielectric constant files # List of dielectric constant files (used if diel_flag = 0)
dielec_file : [ "eps_draine_long_Si", "eps_ashok_long_C" ] dielec_file : [ ]
# Dielectric constant files format (same for all files) # Dielectric constant files format (same for all files)
dielec_fmt : [ "CSV" ] dielec_fmt : [ "CSV" ]
# Matching method between optical constants and radiation wavelengths # Matching method between optical constants and radiation wavelengths
# #
# interpolate: the constants are interpolated on wavelengths # INTERPOLATE: the constants are interpolated on wavelengths
# grid: only the wavelengths with defined constants are computed # GRID: only the wavelengths with defined constants are computed
# #
match_mode : "GRID" match_mode : "GRID"
# Reference dielectric constants (used if diel_flag = -1)
#
# One real and one imaginary part for each layer in each type.
diel_const : [
[ 3.25e00, 0.00e00 ],
[ 3.25e00, 0.00e00 ],
[ 3.25e00, 0.00e00 ],
[ 3.25e00, 0.00e00 ]
]
radiation_settings: radiation_settings:
# Radiation field polarization (LINEAR | CIRCULAR) # Radiation field polarization (LINEAR | CIRCULAR)
polarization: "LINEAR" polarization: "LINEAR"
# First scale to be used # First scale to be used
scale_start : 1.0e-7 scale_start : 1.0e00
# Last scale to be used # Last scale to be used
scale_end : 1.0e-6 scale_end : 2.0e00
# Calculation step (overridden if `match_mode` is GRID) # Calculation step (overridden if `match_mode` is GRID)
scale_step : 5.0e-9 scale_step : 1.0e00
# Peak Omega # Peak Omega
wp : 3.0e8 wp : 1.372e15
# Peak scale # Peak scale
xip : 1.0e0 xip : 1.0e00
# Define scale explicitly (0) or in equal steps (1) # Define scale explicitly (0) or in equal steps (1)
step_flag : 0 step_flag : 0
# Type of scaling variable (only wavelength supported, for now) # Type of scaling variable
scale_name : "WAVELENGTH" scale_name : "XI"
geometry_settings: geometry_settings:
# Maximum internal field expansion # Maximum internal field expansion
li : 20 li : 8
# Maximum external field expansion (not used by SPHERE) # Maximum external field expansion (not used by SPHERE)
le : 20 le : 8
# Number of transition layer integration points # Number of transition layer integration points
npnt : 149 npnt : 149
# Number of non transition layer integration points # Number of non transition layer integration points
...@@ -91,33 +100,47 @@ geometry_settings: ...@@ -91,33 +100,47 @@ geometry_settings:
# Meridional plane flag # Meridional plane flag
isam : 0 isam : 0
# Starting incidence azimuth angle # Starting incidence azimuth angle
in_th_start : 0.0 in_th_start : 79.0
# Incidence azimuth angle incremental step # Incidence azimuth angle incremental step
in_th_step : 0.0 in_th_step : 10.0
# Ending incidence azimuth angle # Ending incidence azimuth angle
in_th_end : 0.0 in_th_end : 89.0
# Starting incidence elevation angle # Starting incidence elevation angle
in_ph_start : 0.0 in_ph_start : 0.0
# Incidence elevation angle incremental step # Incidence elevation angle incremental step
in_ph_step : 0.0 in_ph_step : 10.0
# Ending incidence elevation angle # Ending incidence elevation angle
in_ph_end : 0.0 in_ph_end : 10.0
# Starting scattered azimuth angle # Starting scattered azimuth angle
sc_th_start : 0.0 sc_th_start : 34.0
# Scattered azimuth angle incremental step # Scattered azimuth angle incremental step
sc_th_step : 0.0 sc_th_step : 15.0
# Ending scattered azimuth angle # Ending scattered azimuth angle
sc_th_end : 0.0 sc_th_end : 49.0
# Starting scattered elevation angle # Starting scattered elevation angle
sc_ph_start : 0.0 sc_ph_start : 5.0
# Scattered elevation angle incremental step # Scattered elevation angle incremental step
sc_ph_step : 0.0 sc_ph_step : 5.0
# Ending scattered elevation angle # Ending scattered elevation angle
sc_ph_end : 0.0 sc_ph_end : 10.0
# Vector of sphere X coordinates (one per sphere or empty for random) # Vector of sphere X coordinates (one per sphere or empty for random)
x_coords : [] x_coords : [
0.00e00,
0.00e00,
1.18882e-07,
-5.656855e-08,
]
# Vector of sphere Y coordinates (one per sphere or empty for random) # Vector of sphere Y coordinates (one per sphere or empty for random)
y_coords : [] y_coords : [
3.00e-08,
3.00e-08,
3.00e-08,
-2.656855e-08
]
# Vector of sphere Z coordinates (one per sphere or empty for random) # Vector of sphere Z coordinates (one per sphere or empty for random)
z_coords : [] z_coords : [
0.00e00,
\ No newline at end of file 9.00e-08,
3.8627e-08,
0.00e00
]
test_data/sphere/config_dev.yml 0 → 100644
+ 126
− 0
View file @ caad85e9
system_settings:
# Limit on host RAM use in Gb (0 for no configuration limit)
max_host_ram : 0
# Limit on GPU RAM use in Gb ( 0 for no configuration limit)
max_gpu_ram : 0
input_settings:
# Folder to write the code input configuration files
input_folder : "."
# Name of the scatterer description file
spheres_file : "DEDFB"
# Name of the geometry description file
geometry_file: "DSPH"
output_settings:
# Folder for the code output storage
output_folder: "."
# Name of the main output file
output_name : "c_OSPH"
# Requested output formats
formats : [ "LEGACY", "HDF5" ]
# Index of the scale for transition matrix output
jwtm : 1
particle_settings:
# What application to use (SPHERE | CLUSTER | INCLUSION)
application : "SPHERE"
# Number of spheres
n_spheres : 1
# Number of sphere types
n_types : 1
# Vector of sphere type identifiers (what type is each sphere)
sph_types : [ 1 ]
# Vector of layers in types (how many layers in each type)
n_layers : [ 2 ]
# Spherical monomer radii in m (one size for each type)
radii : [ 4.0e-8 ]
# Layer fractional radii (one per layer in each type)
rad_frac : [ [ 0.75, 1.0 ] ]
# Index of the dielectric constants (one per layer in each type)
#
# 1 is first file in `dielec_file`, 2 is second ...
dielec_id : [ ]
material_settings:
diel_flag : -1
# External medium dielectric constant
extern_diel : 1.7689e+00
# Dielectric constant files folder
dielec_path : "."
# List of dielectric constant files (used if diel_flag = 0)
dielec_file : [ ]
# Dielectric constant files format (same for all files)
dielec_fmt : [ "CSV" ]
# Matching method between optical constants and radiation wavelengths
#
# INTERPOLATE: the constants are interpolated on wavelengths
# GRID: only the wavelengths with defined constants are computed
#
match_mode : "GRID"
# Reference dielectric constants (used if diel_flag = -1)
#
# One real and one imaginary part for each layer in each type.
diel_const : [
[ 2.25e00, 2.56e-03, 2.25e00, 2.56e-03 ]
]
radiation_settings:
# Radiation field polarization (LINEAR | CIRCULAR)
polarization: "LINEAR"
# First scale to be used
scale_start : 1.0e+00
# Last scale to be used
scale_end : 2.0e+00
# Calculation step (overridden if `match_mode` is GRID)
scale_step : 1.0e+00
# Peak Omega
wp : 1.7715748e+15
# Peak scale
xip : 1.0e+00
# Define scale explicitly (0) or in equal steps (1)
step_flag : 0
# Type of scaling variable
scale_name : "XI"
geometry_settings:
# Maximum internal field expansion
li : 8
# Maximum external field expansion (not used by SPHERE)
le : 8
# Number of transition layer integration points
npnt : 149
# Number of non transition layer integration points
npntts : 300
# Meridional plane flag
isam : 0
# Starting incidence azimuth angle
in_th_start : 79.0
# Incidence azimuth angle incremental step
in_th_step : 10.0
# Ending incidence azimuth angle
in_th_end : 89.0
# Starting incidence elevation angle
in_ph_start : 0.0
# Incidence elevation angle incremental step
in_ph_step : 10.0
# Ending incidence elevation angle
in_ph_end : 10.0
# Starting scattered azimuth angle
sc_th_start : 34.0
# Scattered azimuth angle incremental step
sc_th_step : 15.0
# Ending scattered azimuth angle
sc_th_end : 49.0
# Starting scattered elevation angle
sc_ph_start : 5.0
# Scattered elevation angle incremental step
sc_ph_step : 5.0
# Ending scattered elevation angle
sc_ph_end : 10.0
# Vector of sphere X coordinates (one per sphere or empty for random)
x_coords : [ ]
# Vector of sphere Y coordinates (one per sphere or empty for random)
y_coords : [ ]
# Vector of sphere Z coordinates (one per sphere or empty for random)
z_coords : [ ]
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