Upgrades to argproc.py, finite rectangular lattice scatter script.
Former-commit-id: 36aba53dc445752cf50e1638883f5a280ccab753
This commit is contained in:
Marek Nečada
parent
ef1c699861
commit
dc5d2cde0b
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@ -4,13 +4,9 @@ import math
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from qpms.argproc import ArgParser
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ap = ArgParser(['single_particle', 'single_omega', 'single_lMax'])
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ap.add_argument("-p", "--period", type=float, required=True, help='square lattice period')
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ap.add_argument("--Nx", type=int, required=True, help='Array size x')
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ap.add_argument("--Ny", type=int, required=True, help='Array size y')
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ap = ArgParser(['rectlattice2d_finite', 'single_particle', 'single_lMax', 'single_omega'])
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ap.add_argument("-k", '--kx-lim', nargs=2, type=float, required=True, help='k vector', metavar=('KX_MIN', 'KX_MAX'))
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# ap.add_argument("--kpi", action='store_true', help="Indicates that the k vector is given in natural units instead of SI, i.e. the arguments given by -k shall be automatically multiplied by pi / period (given by -p argument)")
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ap.add_argument("--rank-tol", type=float, required=False)
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ap.add_argument("-o", "--output", type=str, required=False, help='output path (if not provided, will be generated automatically)')
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ap.add_argument("-N", type=int, default="151", help="Number of angles")
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ap.add_argument("-O", "--plot-out", type=str, required=False, help="path to plot output (optional)")
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@ -23,12 +19,14 @@ a=ap.parse_args()
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import logging
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logging.basicConfig(format='%(asctime)s %(message)s', level=logging.INFO)
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Nx, Ny = a.size
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px, py = a.period
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particlestr = ("sph" if a.height is None else "cyl") + ("_r%gnm" % (a.radius*1e9))
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if a.height is not None: particlestr += "_h%gnm" % (a.height * 1e9)
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defaultprefix = "%s_p%gnm_%dx%d_m%s_n%g_angles(%g_%g)_Ey_f%geV_L%d_cn%d" % (
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particlestr, a.period*1e9, a.Nx, a.Ny, str(a.material), a.refractive_index, a.kx_lim[0], a.kx_lim[1], a.eV, a.lMax, a.N)
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logging.info("Dafault file prefix: %s" % defaultprefix)
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defaultprefix = "%s_p%gnmx%gnm_%dx%d_m%s_n%g_angles(%g_%g)_Ey_f%geV_L%d_cn%d" % (
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particlestr, px*1e9, py*1e9, Nx, Ny, str(a.material), a.refractive_index, a.kx_lim[0], a.kx_lim[1], a.eV, a.lMax, a.N)
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logging.info("Default file prefix: %s" % defaultprefix)
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import numpy as np
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@ -44,12 +42,9 @@ eh = eV/hbar
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dbgmsg_enable(DebugFlags.INTEGRATION)
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px=a.period
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py=a.period
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#Particle positions
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orig_x = (np.arange(a.Nx/2) + (0 if (a.Nx % 2) else .5)) * px
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orig_y = (np.arange(a.Ny/2) + (0 if (a.Ny % 2) else .5)) * py
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orig_x = (np.arange(Nx/2) + (0 if (Nx % 2) else .5)) * px
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orig_y = (np.arange(Ny/2) + (0 if (Ny % 2) else .5)) * py
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orig_xy = np.stack(np.meshgrid(orig_x, orig_y), axis = -1)
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@ -3,13 +3,28 @@ Common snippets for argument processing in command line scripts; legacy scripts
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'''
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import argparse
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import sys
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def make_action_sharedlist(opname, listname):
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class opAction(argparse.Action):
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def __call__(self, parser, args, values, option_string=None):
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if (not hasattr(args, listname)) or getattr(args, listname) is None:
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setattr(args, listname, list())
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getattr(args, listname).append((opname, values))
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return opAction
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class AppendTupleAction(argparse.Action):
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''' A variation on the 'append' builtin action from argparse, but uses tuples for the internal groupings instead of lists '''
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def __call__(self, parser, args, values, option_string=None):
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if (not hasattr(args, self.dest)) or getattr(args, self.dest) is None:
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setattr(args, self.dest, list())
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getattr(args, self.dest).append(tuple(values))
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class ArgParser:
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''' Common argument parsing engine for QPMS python CLI scripts. '''
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atomic_arguments = {
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'sqlat_period': lambda ap: ap.add_argument("-p", "--period", type=float, required=True, help='square lattice period'),
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'rectlat_Nx': lambda ap: ap.add_argument("--Nx", type=int, required=True, help='array size x'),
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'rectlat_Ny': lambda ap: ap.add_argument("--Ny", type=int, required=True, help='array size y'),
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'rectlattice2d_periods': lambda ap: ap.add_argument("-p", "--period", type=float, nargs='+', required=True, help='square/rectangular lattice periods', metavar=('px','[py]')),
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'rectlattice2d_counts': lambda ap: ap.add_argument("--size", type=int, nargs=2, required=True, help='rectangular array size (particle column, row count)', metavar=('NCOLS', 'NROWS')),
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'single_frequency_eV': lambda ap: ap.add_argument("-f", "--eV", type=float, required=True, help='radiation angular frequency in eV'),
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'single_material': lambda ap: ap.add_argument("-m", "--material", help='particle material (Au, Ag, ... for Lorentz-Drude or number for constant refractive index)', default='Au', required=True),
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'single_radius': lambda ap: ap.add_argument("-r", "--radius", type=float, required=True, help='particle radius (sphere or cylinder)'),
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@ -19,9 +34,10 @@ class ArgParser:
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'bg_refractive_index': lambda ap: ap.add_argument("-n", "--refractive-index", type=float, default=1.52, help='background medium refractive index'),
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'single_lMax': lambda ap: ap.add_argument("-L", "--lMax", type=int, required=True, default=3, help='multipole degree cutoff'),
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'single_lMax_extend': lambda ap: ap.add_argument("--lMax-extend", type=int, required=False, default=6, help='multipole degree cutoff for T-matrix calculation (cylindrical particles only'),
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'outfile': lambda ap: ap.add_argument("-o", "--output", type=str, required=False, help='output path (if not provided, will be generated automatically)'),
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'outfile': lambda ap: ap.add_argument("-o", "--output", type=str, required=False, help='output path (if not provided, will be generated automatically)'), # TODO consider type=argparse.FileType('w')
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'plot_out': lambda ap: ap.add_argument("-O", "--plot-out", type=str, required=False, help="path to plot output (optional)"),
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'plot_do': lambda ap: ap.add_argument("-P", "--plot", action='store_true', help="if -p not given, plot to a default path"),
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'lattice2d_basis': lambda ap: ap.add_argument("-b", "--basis-vector", action=AppendTupleAction, help="basis vector in xy-cartesian coordinates (two required)", dest='basis_vectors', metavar=('X', 'Y')),
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}
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feature_sets_available = { # name : (description, dependencies, atoms not in other dependencies, methods called after parsing)
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@ -29,6 +45,9 @@ class ArgParser:
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'single_particle': ("Single particle definition (shape [currently spherical or cylindrical]) and materials, incl. background)", ('background',), ('single_material', 'single_radius', 'single_height', 'single_lMax_extend'), ('_eval_single_tmgen',)),
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'single_lMax': ("Single particle lMax definition", (), ('single_lMax',), ()),
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'single_omega': ("Single angular frequency", (), ('single_frequency_eV',), ('_eval_single_omega',)),
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'lattice2d': ("Specification of a generic 2d lattice (spanned by the x,y axes)", (), ('lattice2d_basis',), ('_eval_lattice2d',)),
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'rectlattice2d': ("Specification of a rectangular 2d lattice; conflicts with lattice2d", (), ('rectlattice2d_periods',), ('_eval_rectlattice2d',)),
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'rectlattice2d_finite': ("Specification of a rectangular 2d lattice; conflicts with lattice2d", ('rectlattice2d',), ('rectlattice2d_counts',), ()),
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}
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@ -43,7 +62,7 @@ class ArgParser:
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def add_feature(self, feat):
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if feat not in self.features_enabled:
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if feat not in ArgParser.feature_sets_available:
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raise ValueError("Unknown ArgParser feature: %s", feat)
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raise ValueError("Unknown ArgParser feature: %s" % feat)
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#resolve dependencies
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_, deps, atoms, atparse = ArgParser.feature_sets_available[feat]
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for dep in deps:
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@ -99,4 +118,26 @@ class ArgParser:
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from .constants import eV, hbar
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self.omega = self.args.eV * eV / hbar
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def _eval_lattice2d(self): # feature: lattice2d
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l = len(self.args.basis_vectors)
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if l != 2: raise ValueError('Two basis vectors must be specified (have %d)' % l)
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from .qpms_c import lll_reduce
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self.direct_basis = lll_reduce(self.args.basis_vector, delta=1.)
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# import numpy as np
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# self.reciprocal_basis1 = np.linalg.inv(self.direct_basis)
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# self.reciprocal_basis2pi = 2 * np.pi * self.reciprocal_basis1
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def _eval_rectlattice2d(self): # feature: rectlattice2d
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a = self.args
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l = len(a.period)
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if (l == 1): # square lattice
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a.period = (a.period[0], a.period[0])
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else:
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a.period = (a.period[0], a.period[1])
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if (l > 2):
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raise ValueError("At most two lattice periods allowed for a rectangular lattice (got %d)" % l)
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import numpy as np
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a.basis_vectors = [(a.period[0], 0.), (0., a.period[1])]
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self.direct_basis = np.array(a.basis_vectors)
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