Generalize scatterer configuration to multi-layer case (d69b3f50) · Commits · Giacomo Mulas / NP_TMcode

src/scripts/model_maker.py

+125 −51

Original line number	Diff line number	Diff line
		@@ -18,7 +18,6 @@
		## @package pycompare
		# \brief Script to build models from YAML configuration files

		import cmath
		import numpy as np
		import yaml

		@@ -93,12 +92,6 @@ def interpolate_constants(sconf):
		ry0 = rpart[wi - 1]
		iy0 = ipart[wi - 1]
		dx = w - x0
		if (dci == 1):
		print("DEBUG: wi = %d"%wi)
		print("DEBUG: w = %e"%w)
		print("DEBUG: x0 = %e"%x0)
		print("DEBUG: x1 = %e"%x1)
		print("DEBUG: dx = %e"%dx)
		dry = (ry1 - ry0) / (x1 - x0) * dx
		diy = (iy1 - iy0) / (x1 - x0) * dx
		ry = ry0 + dry
		@@ -140,7 +133,7 @@ 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['exri'] = float(model['material_settings']['extern_refr'])
		sconf['exdc'] = float(model['material_settings']['extern_diel'])
		sconf['wp'] = float(model['radiation_settings']['wp'])
		sconf['xip'] = float(model['radiation_settings']['xip'])
		sconf['idfc'] = int(model['material_settings']['diel_flag'])
		@@ -148,30 +141,65 @@ def load_model(model_file):
		sconf['xi_start'] = float(model['radiation_settings']['scale_start'])
		sconf['xi_end'] = float(model['radiation_settings']['scale_end'])
		sconf['xi_step'] = float(model['radiation_settings']['scale_step'])
		if (model['material_settings']['match_mode'] != "GRID"):
		sconf['configurations'] = int(model['particle_settings']['n_types'])
		sconf['dielec_file'] = model['material_settings']['dielec_file']
		num_dielec = len(model['particle_settings']['dielec_id'])
		if (len(model['particle_settings']['n_layers']) != sconf['configurations']):
		print("ERROR: Declared number of layers does not match number of types!")
		return (None, None)
		else:
		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])
		max_layers = max(sconf['nshl'])
		if (num_dielec != sconf['configurations']):
		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 (model['material_settings']['match_mode'] == "INTERPOLATE"):
		sconf['nxi'] = 1 + int((sconf['xi_end'] - sconf['xi_start']) / sconf['xi_step'])
		sconf['vec_xi'] = [0.0 for i in range(sconf['nxi'])]
		for i in range(sconf['nxi']):
		sconf['vec_xi'][i] = sconf['xi_start'] + i * sconf['xi_step']
		# Set up the dielectric constants
		if (sconf['idfc'] == 0):
		sconf['rdc0'] = [
		[
		[0.0 for k in range(sconf['nxi'])] for j in range(sconf['configurations'])
		] for i in range(max_layers)
		]
		sconf['idc0'] = [
		[
		[0.0 for k in range(sconf['nxi'])] for j in range(sconf['configurations'])
		] for i in range(max_layers)
		]
		interpolate_constants(sconf)
		elif (model['material_settings']['match_mode'] == "GRID"):
		match_grid(sconf)
		else:
		print("ERROR: %s is not a recognized match mode!"%(model['material_settings']['match_mode']))
		return (None, None)
		if (model['radiation_settings']['scale_name'] == "WAVELENGTH"):
		sconf['insn'] = 3
		sconf['configurations'] = int(model['particle_settings']['n_types'])
		else:
		print("ERROR: unsupported scaling mode (only WAVELENGTH available)!")
		return (None, None)
		sph_types = model['particle_settings']['sph_types']
		if (len(sph_types) != sconf['nsph']):
		print("ERROR: vector of sphere types does not match the declared number of spheres!")
		return (None, None)
		else:
		sconf['vec_types'] = [int(str_typ) for str_typ in sph_types]
		max_layers = 0
		if (len(model['particle_settings']['n_layers']) != sconf['configurations']):
		print("ERROR: Declared number of layers does not match number of types!")
		return (None, None)
		else:
		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['nshl'][i] > max_layers):
		max_layers = sconf['nshl'][i]
		if (len(model['particle_settings']['radii']) != sconf['configurations']):
		print("ERROR: Declared number of radii does not match number of types!")
		return (None, None)
		@@ -193,38 +221,84 @@ def load_model(model_file):
		else:
		for j in range(sconf['nshl'][i]):
		sconf['rcf'][i][j] = float(model['particle_settings']['rad_frac'][i][j])
		# Set up the dielectric constants
		sconf['dielec_file'] = model['material_settings']['dielec_file']
		num_dielec = len(model['particle_settings']['dielec_id'])
		if (num_dielec != sconf['configurations']):
		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'])
		]
		else: # model is None
		print("ERROR: could not parse " + model_file + "!")
		return (sconf, gconf)

		## \brief Populate the dielectric constant data matching a grid.
		#
		# Important note: if the configuration requests that more than one
		# optical constants file should be used, all the files must provide
		# their constants for the same vector of wavelengths.
		#
		# \param sconf: `dict` Scatterer configuration dictionary.
		# \return result: `int` An exit code (0 if successful).
		def match_grid(sconf):
		result = 0
		max_layers = 0
		nxi = 0
		sconf['vec_xi'] = []
		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):
		file_idx = sconf['dielec_id'][i][j]
		file_name = sconf['dielec_file'][int(file_idx) - 1]
		dielec_file = open(file_name, 'r')
		wavelengths = []
		rpart = []
		ipart = []
		str_line = dielec_file.readline()
		while (str_line != ""):
		if (not str_line.startswith('#')):
		split_line = str_line.split(',')
		if (len(split_line) == 3):
		wavelengths.append(float(split_line[0]))
		rpart.append(float(split_line[1]))
		ipart.append(float(split_line[2]))
		str_line = dielec_file.readline()
		dielec_file.close()
		if (max_layers == 0):
		# This is executed only once
		max_layers = max(sconf['nshl'])
		w_start = sconf['xi_start']
		w_end = sconf['xi_end']
		for wi in range(len(wavelengths)):
		w = wavelengths[wi]
		if (w >= w_start and w <= w_end):
		sconf['vec_xi'].append(w)
		nxi += 1
		sconf['rdc0'] = [
		[
		[0.0 for k in range(sconf['nxi'])] for j in range(sconf['nshl'][i])
		] for i in range(sconf['configurations'])
		[
		0.0 for dk in range(nxi)
		] for dj in range(sconf['configurations'])
		] for di in range(max_layers)
		]
		sconf['idc0'] = [
		[
		[0.0 for k in range(sconf['nxi'])] for j in range(sconf['nshl'][i])
		] for i in range(sconf['configurations'])
		[
		0.0 for dk in range(nxi)
		] for dj in range(sconf['configurations'])
		] for di in range(max_layers)
		]
		interpolate_constants(sconf)
		else: # model is None
		print("ERROR: could not parse " + model_file + "!")
		return (sconf, gconf)
		sconf['nxi'] = nxi
		# This is executed for all layers in all configurations
		wi = 0
		x = wavelengths[wi]
		ry = rpart[wi]
		iy = ipart[wi]
		for dci in range(sconf['nxi']):
		w = sconf['vec_xi'][dci]
		while (w > x):
		x = wavelengths[wi]
		ry = rpart[wi]
		iy = ipart[wi]
		if (wi == len(wavelengths)):
		print("ERROR: file %s does not cover requested wavelengths!"%file_name)
		return 1
		wi += 1
		sconf['rdc0'][j][i][dci] = ry
		sconf['idc0'][j][i][dci] = iy
		return result

		## \brief Print a command-line help summary.
		def print_help():
		@@ -246,7 +320,7 @@ def write_legacy_sconf(sconf):
		out_file = str(sconf['out_file'])
		nsph = sconf['nsph']
		ies = sconf['ies']
		exri = sconf['exri']
		exdc = sconf['exdc']
		wp = sconf['wp']
		xip = sconf['xip']
		idfc = sconf['idfc']
		@@ -258,7 +332,7 @@ def write_legacy_sconf(sconf):
		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(
		exri, wp, xip, idfc, nxi, instpc, xi_flag
		exdc, wp, xip, idfc, nxi, instpc, xi_flag
		)
		output.write(str_line)
		if (instpc == 0):