diff --git a/src/scripts/model_maker.py b/src/scripts/model_maker.py
index 9e6bb1cc6abd60b47beee5519c5096bb6db8f741..bd31e186678b3c14a8191df724e04e4be7ee2ab9 100755
--- a/src/scripts/model_maker.py
+++ b/src/scripts/model_maker.py
@@ -168,16 +168,17 @@ def load_model(model_file):
print("ERROR: declared array of optical constants does not match configurations!")
return (None, None)
else:
- sconf['dielec_id'] = [
- [ 0 for j in range(max_layers)] for i in range(sconf['configurations'])
- ]
- for i in range(sconf['configurations']):
- if (len(model['particle_settings']['dielec_id'][i]) != sconf['nshl'][i]):
- print("ERROR: Declared materials in type %d do not match number of layers!"%i)
- return (None, None)
- else:
- for j in range(sconf['nshl'][i]):
- sconf['dielec_id'][i][j] = float(model['particle_settings']['dielec_id'][i][j])
+ if (sconf['idfc'] == 0):
+ sconf['dielec_id'] = [
+ [ 0 for j in range(max_layers)] for i in range(sconf['configurations'])
+ ]
+ for i in range(sconf['configurations']):
+ if (len(model['particle_settings']['dielec_id'][i]) != sconf['nshl'][i]):
+ print("ERROR: Declared materials in type %d do not match number of layers!"%i)
+ return (None, None)
+ else:
+ for j in range(sconf['nshl'][i]):
+ sconf['dielec_id'][i][j] = float(model['particle_settings']['dielec_id'][i][j])
if (model['radiation_settings']['scale_name'] == "XI"):
sconf['insn'] = 1
sconf['nxi'] = 1 + int((sconf['xi_end'] - sconf['xi_start']) / sconf['xi_step'])
@@ -203,7 +204,7 @@ def load_model(model_file):
for di in range(max_layers):
for dj in range(sconf['configurations']):
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)
else:
sconf['rdc0'][di][dj][0] = float(model['material_settings']['diel_const'][dj][2 * di])
@@ -289,7 +290,8 @@ def load_model(model_file):
gconf['inpol'] = 0 if str_polar == "LINEAR" else 1
gconf['npnt'] = int(model['geometry_settings']['npnt'])
gconf['npntts'] = int(model['geometry_settings']['npntts'])
- gconf['iavm'] = int(model['geometry_settings']['iavm'])
+ if (gconf['application'] != "SPHERE"):
+ gconf['iavm'] = int(model['geometry_settings']['iavm'])
gconf['isam'] = int(model['geometry_settings']['isam'])
gconf['jwtm'] = int(model['output_settings']['jwtm'])
gconf['th'] = float(model['geometry_settings']['in_th_start'])
@@ -304,6 +306,9 @@ def load_model(model_file):
gconf['phs'] = float(model['geometry_settings']['sc_ph_start'])
gconf['phsstp'] = float(model['geometry_settings']['sc_ph_step'])
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):
# TODO: put here a test to allow for empty vectors in case of random generation
if (len(model['geometry_settings']['x_coords']) != gconf['nsph']):
@@ -315,13 +320,10 @@ def load_model(model_file):
if (len(model['geometry_settings']['z_coords']) != gconf['nsph']):
print("ERROR: Z coordinates do not match the number of spheres!")
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']):
- 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_z'][si] = float(model['geometry_settings']['z_coords'][si])
+ for si in range(gconf['nsph']):
+ 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_z'][si] = float(model['geometry_settings']['z_coords'][si])
else: # model is None
print("ERROR: could not parse " + model_file + "!")
return (sconf, gconf)
@@ -507,7 +509,7 @@ def write_legacy_sconf(conf):
output = open(out_file, 'w')
str_line = " {0:3d}{1:3d}\n".format(nsph, ies)
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
)
output.write(str_line)
diff --git a/test_data/cluster/config_dev.yml b/test_data/cluster/config_dev.yml
new file mode 100644
index 0000000000000000000000000000000000000000..5a9fd27de76b94b81cc2d43522f82c8deaa39a7f
--- /dev/null
+++ b/test_data/cluster/config_dev.yml
@@ -0,0 +1,146 @@
+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
+ ]
diff --git a/test_data/config_example.yml b/test_data/config_example.yml
index 4a01e2d0b9295448f24e68de49bca9aaa19ed96a..7a9553c4ed41efd52f31984c5afcfdd81ceb09fc 100644
--- a/test_data/config_example.yml
+++ b/test_data/config_example.yml
@@ -10,13 +10,13 @@ input_settings:
# Name of the scatterer description file
spheres_file : "DEDFB"
# Name of the geometry description file
- geometry_file: "DSPH"
+ geometry_file: "DCLU"
output_settings:
# Folder for the code output storage
output_folder: "test_subdir"
# Name of the main output file
- output_name : "c_OSPH"
+ output_name : "c_OCLU"
# Requested output formats
formats : [ "LEGACY", "HDF5" ]
# Index of the scale for transition matrix output
@@ -24,64 +24,73 @@ output_settings:
particle_settings:
# What application to use (SPHERE | CLUSTER | INCLUSION)
- application : "SPHERE"
+ application : "CLUSTER"
# Number of spheres
- n_spheres : 1
+ n_spheres : 4
# Number of sphere types
- n_types : 1
+ n_types : 4
# 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)
- n_layers : [ 2 ]
+ n_layers : [ 1, 1, 1, 1 ]
# 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)
- 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)
#
# 1 is first file in `dielec_file`, 2 is second ...
- dielec_id : [ [ 1, 2 ] ]
+ dielec_id : [ [ 1 ], [ 1 ], [ 1 ], [ 1 ] ]
material_settings:
- diel_flag : 0
+ diel_flag : -1
# External medium dielectric constant
- extern_diel : 1.0e0
+ extern_diel : 2.3104e0
# Dielectric constant files folder
- dielec_path : "../"
- # List of dielectric constant files
- dielec_file : [ "eps_draine_long_Si", "eps_ashok_long_C" ]
+ 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
+ # 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 : 1.0e-7
+ scale_start : 1.0e00
# Last scale to be used
- scale_end : 1.0e-6
+ scale_end : 2.0e00
# Calculation step (overridden if `match_mode` is GRID)
- scale_step : 5.0e-9
+ scale_step : 1.0e00
# Peak Omega
- wp : 3.0e8
+ wp : 1.372e15
# Peak scale
- xip : 1.0e0
+ xip : 1.0e00
# Define scale explicitly (0) or in equal steps (1)
step_flag : 0
- # Type of scaling variable (only wavelength supported, for now)
- scale_name : "WAVELENGTH"
+ # Type of scaling variable
+ scale_name : "XI"
geometry_settings:
# Maximum internal field expansion
- li : 20
+ li : 8
# Maximum external field expansion (not used by SPHERE)
- le : 20
+ le : 8
# Number of transition layer integration points
npnt : 149
# Number of non transition layer integration points
@@ -91,33 +100,47 @@ geometry_settings:
# Meridional plane flag
isam : 0
# Starting incidence azimuth angle
- in_th_start : 0.0
+ in_th_start : 79.0
# Incidence azimuth angle incremental step
- in_th_step : 0.0
+ in_th_step : 10.0
# Ending incidence azimuth angle
- in_th_end : 0.0
+ in_th_end : 89.0
# Starting incidence elevation angle
in_ph_start : 0.0
# Incidence elevation angle incremental step
- in_ph_step : 0.0
+ in_ph_step : 10.0
# Ending incidence elevation angle
- in_ph_end : 0.0
+ in_ph_end : 10.0
# Starting scattered azimuth angle
- sc_th_start : 0.0
+ sc_th_start : 34.0
# Scattered azimuth angle incremental step
- sc_th_step : 0.0
+ sc_th_step : 15.0
# Ending scattered azimuth angle
- sc_th_end : 0.0
+ sc_th_end : 49.0
# Starting scattered elevation angle
- sc_ph_start : 0.0
+ sc_ph_start : 5.0
# Scattered elevation angle incremental step
- sc_ph_step : 0.0
+ sc_ph_step : 5.0
# 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)
- 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)
- 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)
- z_coords : []
-
\ No newline at end of file
+ z_coords : [
+ 0.00e00,
+ 9.00e-08,
+ 3.8627e-08,
+ 0.00e00
+ ]
diff --git a/test_data/sphere/config_dev.yml b/test_data/sphere/config_dev.yml
new file mode 100644
index 0000000000000000000000000000000000000000..ac2d0e569d393da9238bee1562ef9f60964551ec
--- /dev/null
+++ b/test_data/sphere/config_dev.yml
@@ -0,0 +1,126 @@
+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 : [ ]