Commit 35188cf3 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Implement YAML configuration for INCLUSION development case

parent caad85e9

src/scripts/model_maker.py

+61 −19
Original line number Diff line number Diff line
@@ -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!")
@@ -531,11 +534,15 @@ 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['application'] != "INCLUSION"):

        if (conf['idfc'] == 0):

            # Write all wavelength dependent constants for each layer in each configuration

            for xi in range(conf['configurations']):
@@ -556,6 +563,41 @@ def write_legacy_sconf(conf): 
                    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)

    output.write("0\n")

    output.close()

    return result

test_data/inclusion/config_dev.yml

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+135 −0
Original line number Diff line number Diff line 
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

    ]

test_data/inclusion/eps_sp1.csv

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+7 −0
Original line number Diff line number Diff line 
# 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

test_data/inclusion/eps_sp2.csv

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+7 −0
Original line number Diff line number Diff line 
# 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

test_data/inclusion/eps_spe.csv

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+7 −0
Original line number Diff line number Diff line 
# 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