diff --git a/src/scripts/model_maker.py b/src/scripts/model_maker.py
index bd31e186678b3c14a8191df724e04e4be7ee2ab9..9705290efc8b30736c79c18bc1a62d4cbea5b304 100755
--- a/src/scripts/model_maker.py
+++ b/src/scripts/model_maker.py
@@ -139,7 +139,8 @@ def load_model(model_file):
)
}
sconf['nsph'] = int(model['particle_settings']['n_spheres'])
- sconf['ies'] = 1 if model['particle_settings']['application'] == "INCLUSION" else 0
+ sconf['application'] = model['particle_settings']['application']
+ sconf['ies'] = 1 if sconf['application'] == "INCLUSION" else 0
sconf['exdc'] = float(model['material_settings']['extern_diel'])
sconf['wp'] = float(model['radiation_settings']['wp'])
sconf['xip'] = float(model['radiation_settings']['xip'])
@@ -163,6 +164,8 @@ def load_model(model_file):
sconf['nshl'] = [0 for i in range(sconf['configurations'])]
for i in range(sconf['configurations']):
sconf['nshl'][i] = int(model['particle_settings']['n_layers'][i])
+ if (sconf['application'] == "INCLUSION"):
+ sconf['nshl'][0] += 1
max_layers = max(sconf['nshl'])
if (num_dielec != sconf['configurations']):
print("ERROR: declared array of optical constants does not match configurations!")
@@ -531,31 +534,70 @@ def write_legacy_sconf(conf):
if (sphere_count != 0):
output.write("\n")
for ci in range(conf['configurations']):
- str_line = "{0:3d} {1:15.7E}\n".format(conf['nshl'][ci], conf['ros'][ci])
+ layers = conf['nshl'][ci]
+ if (conf['application'] == "INCLUSION" and ci == 0):
+ layers -= 1
+ str_line = "{0:3d} {1:15.7E}\n".format(layers, conf['ros'][ci])
output.write(str_line)
for cj in range(conf['nshl'][ci]):
str_line = " {0:.7E}\n".format(conf['rcf'][ci][cj])
output.write(str_line)
- if (conf['idfc'] == 0):
- # Write all wavelength dependent constants for each layer in each configuration
- for xi in range(conf['configurations']):
- for xj in range(conf['nshl'][xi]):
- for xk in range(conf['nxi']):
- for xii in range(conf['configurations']):
- rdc0 = conf['rdc0'][xj][xii][xk]
- idc0 = conf['idc0'][xj][xii][xk]
+ if (conf['application'] != "INCLUSION"):
+ if (conf['idfc'] == 0):
+ # Write all wavelength dependent constants for each layer in each configuration
+ for xi in range(conf['configurations']):
+ for xj in range(conf['nshl'][xi]):
+ for xk in range(conf['nxi']):
+ for xii in range(conf['configurations']):
+ rdc0 = conf['rdc0'][xj][xii][xk]
+ idc0 = conf['idc0'][xj][xii][xk]
+ if (rdc0 != 0.0 or idc0 != 0.0):
+ str_line = "({0:11.5E},{1:11.5E})\n".format(rdc0, idc0)
+ output.write(str_line)
+ elif (conf['idfc'] == -1):
+ # Write reference scale constants for each layer in each configuration
+ for xi in range(conf['configurations']):
+ for xj in range(conf['nshl'][xi]):
+ rdc0 = conf['rdc0'][xj][xi][0]
+ idc0 = conf['idc0'][xj][xi][0]
+ if (rdc0 != 0.0 or idc0 != 0.0):
+ str_line = "({0:11.5E},{1:11.5E})\n".format(rdc0, idc0)
+ output.write(str_line)
+ else: # specialized output for INCLUSION
+ if (conf['idfc'] == 0):
+ # Write all wavelength dependent constants for each layer in each configuration
+ for xi in range(conf['configurations']):
+ layers = conf['nshl'][xi] - 1
+ for xj in range(layers):
+ for xk in range(conf['nxi']):
+ for xii in range(conf['configurations']):
+ rdc0 = conf['rdc0'][xj][xii][xk]
+ idc0 = conf['idc0'][xj][xii][xk]
+ if (rdc0 != 0.0 or idc0 != 0.0):
+ str_line = "({0:11.5E},{1:11.5E})\n".format(rdc0, idc0)
+ output.write(str_line)
+ if (xii == conf['configurations'] - 1):
+ rdc0 = conf['rdc0'][layers][0][xk]
+ idc0 = conf['idc0'][layers][0][xk]
+ if (rdc0 != 0.0 or idc0 != 0.0):
+ str_line = "({0:11.5E},{1:11.5E})\n".format(rdc0, idc0)
+ output.write(str_line)
+ elif (conf['idfc'] == -1):
+ # Write reference scale constants for each layer in each configuration
+ for xi in range(conf['configurations']):
+ layers = conf['nshl'][xi] - 1
+ for xj in range(layers):
+ rdc0 = conf['rdc0'][xj][xi][0]
+ idc0 = conf['idc0'][xj][xi][0]
+ if (rdc0 != 0.0 or idc0 != 0.0):
+ str_line = "({0:11.5E},{1:11.5E})\n".format(rdc0, idc0)
+ output.write(str_line)
+ if (xi == conf['configurations'] - 1):
+ rdc0 = conf['rdc0'][layers][0][0]
+ idc0 = conf['idc0'][layers][0][0]
if (rdc0 != 0.0 or idc0 != 0.0):
str_line = "({0:11.5E},{1:11.5E})\n".format(rdc0, idc0)
output.write(str_line)
- elif (conf['idfc'] == -1):
- # Write reference scale constants for each layer in each configuration
- for xi in range(conf['configurations']):
- for xj in range(conf['nshl'][xi]):
- rdc0 = conf['rdc0'][xj][xi][0]
- idc0 = conf['idc0'][xj][xi][0]
- if (rdc0 != 0.0 or idc0 != 0.0):
- str_line = "({0:11.5E},{1:11.5E})\n".format(rdc0, idc0)
- output.write(str_line)
output.write("0\n")
output.close()
return result
diff --git a/test_data/inclusion/config_dev.yml b/test_data/inclusion/config_dev.yml
new file mode 100644
index 0000000000000000000000000000000000000000..e3269ef130a8d8214b416bfff0a93a1cbe29705c
--- /dev/null
+++ b/test_data/inclusion/config_dev.yml
@@ -0,0 +1,135 @@
+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: "DINCLU"
+
+output_settings:
+ # Folder for the code output storage
+ output_folder: "."
+ # 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 : 2
+
+particle_settings:
+ # What application to use (SPHERE | CLUSTER | INCLUSION)
+ application : "INCLUSION"
+ # Number of spheres
+ n_spheres : 2
+ # Number of sphere types
+ n_types : 2
+ # Vector of sphere type identifiers (what type is each sphere)
+ sph_types : [ 1, 2 ]
+ # Vector of layers in types (how many layers in each type)
+ n_layers : [ 1, 1 ]
+ # Spherical monomer radii in m (one size for each type)
+ radii : [ 2.0e-8, 2.0e-8 ]
+ # Layer fractional radii (one per layer in each type)
+ rad_frac : [ [ 1.0, 3.0 ], [ 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, 3 ], [ 2 ] ]
+
+material_settings:
+ diel_flag : 0
+ # External medium dielectric constant
+ extern_diel : 1.0e+00
+ # Dielectric constant files folder
+ dielec_path : "../../test_data/inclusion"
+ # List of dielectric constant files (used if diel_flag = 0)
+ dielec_file : [ "eps_sp1.csv", "eps_sp2.csv", "eps_spe.csv" ]
+ # 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 : [ ]
+
+radiation_settings:
+ # Radiation field polarization (LINEAR | CIRCULAR)
+ polarization: "LINEAR"
+ # First scale to be used
+ scale_start : 1.0e-07
+ # Last scale to be used
+ scale_end : 1.5e-07
+ # Calculation step (overridden if `match_mode` is GRID)
+ scale_step : 5.0e-08
+ # Peak Omega
+ wp : 3.00e+08
+ # Peak scale
+ xip : 1.00e+00
+ # Define scale explicitly (0) or in equal steps (1)
+ step_flag : 0
+ # Type of scaling variable
+ scale_name : "WAVELENGTH"
+
+geometry_settings:
+ # Maximum internal field expansion
+ li : 3
+ # Maximum external field expansion (not used by SPHERE)
+ le : 3
+ # 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 : 0.0
+ # Incidence azimuth angle incremental step
+ in_th_step : 0.0
+ # Ending incidence azimuth angle
+ in_th_end : 0.0
+ # Starting incidence elevation angle
+ in_ph_start : 0.0
+ # Incidence elevation angle incremental step
+ in_ph_step : 0.0
+ # Ending incidence elevation angle
+ in_ph_end : 0.0
+ # Starting scattered azimuth angle
+ sc_th_start : 0.0
+ # Scattered azimuth angle incremental step
+ sc_th_step : 0.0
+ # Ending scattered azimuth angle
+ sc_th_end : 0.0
+ # Starting scattered elevation angle
+ sc_ph_start : 0.0
+ # Scattered elevation angle incremental step
+ sc_ph_step : 0.0
+ # Ending scattered elevation angle
+ sc_ph_end : 0.0
+ # Vector of sphere X coordinates (one per sphere)
+ x_coords : [
+ 2.10e-08,
+ -2.10e-08
+ ]
+ # Vector of sphere Y coordinates (one per sphere)
+ y_coords : [
+ 0.00e+00,
+ 0.00e+00
+ ]
+ # Vector of sphere Z coordinates (one per sphere)
+ z_coords : [
+ 0.00e+00,
+ 0.00e+00
+ ]
diff --git a/test_data/inclusion/eps_sp1.csv b/test_data/inclusion/eps_sp1.csv
new file mode 100644
index 0000000000000000000000000000000000000000..9c6fb94a9ad6d8ed3b40dac6cf101e7b139cb1e1
--- /dev/null
+++ b/test_data/inclusion/eps_sp1.csv
@@ -0,0 +1,7 @@
+# Dielectric constants of SPHERE 1 for INCLUSION
+#
+# Wavelengths are in meters.
+#
+#Wavelength,Re(EPS),Im(EPS)
+1.0000000e-07,2.560000e00,0.000000e-01
+1.5000000e-07,4.000000e00,0.000000e-01
diff --git a/test_data/inclusion/eps_sp2.csv b/test_data/inclusion/eps_sp2.csv
new file mode 100644
index 0000000000000000000000000000000000000000..348a540efa3fbc7fe76a8b5ca18aaa32af6cb13d
--- /dev/null
+++ b/test_data/inclusion/eps_sp2.csv
@@ -0,0 +1,7 @@
+# Dielectric constants of SPHERE 2 for INCLUSION
+#
+# Wavelengths are in meters.
+#
+#Wavelength,Re(EPS),Im(EPS)
+1.0000000e-07,1.690000e00,0.000000e-01
+1.5000000e-07,2.000000e00,0.000000e-01
diff --git a/test_data/inclusion/eps_spe.csv b/test_data/inclusion/eps_spe.csv
new file mode 100644
index 0000000000000000000000000000000000000000..6218cb420bfc6a2ccf49bac1952745d6212c707a
--- /dev/null
+++ b/test_data/inclusion/eps_spe.csv
@@ -0,0 +1,7 @@
+# Dielectric constants of EXTERNAL SPHERE for INCLUSION
+#
+# Wavelengths are in meters.
+#
+#Wavelength,Re(EPS),Im(EPS)
+1.0000000e-07,2.000000e00,0.010000e-01
+1.5000000e-07,3.200000e00,0.030000e-01