117 lines
5.4 KiB
Cython
117 lines
5.4 KiB
Cython
import numpy as np
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from .qpms_cdefs cimport *
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from .cybspec cimport BaseSpec
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from .cycommon import *
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from .cycommon cimport make_c_string
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from .qpms_c cimport FinitePointGroup
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import warnings
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import os
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from libc.stdlib cimport free
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cdef class TMatrixInterpolator:
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'''
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Wrapper over the qpms_tmatrix_interpolator_t structure.
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'''
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def __cinit__(self, filename, BaseSpec bspec, *args, **kwargs):
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'''Creates a T-matrix interpolator object from a scuff-tmatrix output'''
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global qpms_load_scuff_tmatrix_crash_on_failure
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qpms_load_scuff_tmatrix_crash_on_failure = False
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self.spec = bspec
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cdef char * cpath = make_c_string(filename)
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retval = qpms_load_scuff_tmatrix(cpath, self.spec.rawpointer(),
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&(self.nfreqs), &(self.freqs), &(self.freqs_su),
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&(self.tmatrices_array), &(self.tmdata))
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if (retval != QPMS_SUCCESS):
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raise IOError("Could not read T-matrix from %s: %s" % (filename, os.strerror(retval)))
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if 'symmetrise' in kwargs:
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sym = kwargs['symmetrise']
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if isinstance(sym, FinitePointGroup):
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if QPMS_SUCCESS != qpms_symmetrise_tmdata_finite_group(
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self.tmdata, self.nfreqs, self.spec.rawpointer(),
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(<FinitePointGroup?>sym).rawpointer()):
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raise Exception("This should not happen.")
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atol = kwargs['atol'] if 'atol' in kwargs else 1e-16
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qpms_czero_roundoff_clean(self.tmdata, self.nfreqs * len(bspec)**2, atol)
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else:
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warnings.warn('symmetrise argument type not supported; ignoring.')
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self.interp = qpms_tmatrix_interpolator_create(self.nfreqs,
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self.freqs, self.tmatrices_array, gsl_interp_cspline)
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if not self.interp: raise Exception("Unexpected NULL at interpolator creation.")
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def __call__(self, double freq):
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'''Returns a TMatrix instance, corresponding to a given frequency.'''
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if freq < self.freqs[0] or freq > self.freqs[self.nfreqs-1]:# FIXME here I assume that the input is already sorted
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raise ValueError("input frequency %g is outside the interpolator domain (%g, %g)"
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% (freq, self.freqs[0], self.freqs[self.nfreqs-1]))
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# This is a bit stupid, I should rethink the CTMatrix constuctors
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cdef qpms_tmatrix_t *t = qpms_tmatrix_interpolator_eval(self.interp, freq)
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cdef CTMatrix res = CTMatrix(self.spec, <cdouble[:len(self.spec),:len(self.spec)]>(t[0].m))
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qpms_tmatrix_free(t)
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return res
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def __dealloc__(self):
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qpms_tmatrix_interpolator_free(self.interp)
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free(self.tmatrices_array)
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free(self.tmdata)
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free(self.freqs_su)
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free(self.freqs)
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property freq_interval:
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def __get__(self):
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return [self.freqs[0], self.freqs[self.nfreqs-1]]
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cdef class CTMatrix: # N.B. there is another type called TMatrix in tmatrices.py!
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'''
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Wrapper over the C qpms_tmatrix_t stucture.
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'''
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def __cinit__(CTMatrix self, BaseSpec spec, matrix):
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self.spec = spec
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self.t.spec = self.spec.rawpointer();
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if (matrix is None) or not np.any(matrix):
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self.m = np.zeros((len(spec),len(spec)), dtype=complex, order='C')
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else:
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# The following will raise an exception if shape is wrong
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self.m = np.array(matrix, dtype=complex, copy=True, order='C').reshape((len(spec), len(spec)))
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#self.m.setflags(write=False) # checkme
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cdef cdouble[:,:] m_memview = self.m
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self.t.m = &(m_memview[0,0])
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self.t.owns_m = False # Memory in self.t.m is "owned" by self.m, not by self.t...
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property rawpointer:
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def __get__(self):
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return <uintptr_t> &(self.t)
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# Transparent access to the T-matrix elements.
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def __getitem__(self, key):
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return self.m[key]
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def __setitem__(self, key, value):
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self.m[key] = value
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def as_ndarray(CTMatrix self):
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''' Returns a copy of the T-matrix as a numpy array.'''
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# Maybe not totally needed after all, as np.array(T[...]) should be equivalent and not longer
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return np.array(self.m, copy=True)
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def spherical_fill(CTMatrix self, double radius, cdouble k_int,
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cdouble k_ext, cdouble mu_int = 1, cdouble mu_ext = 1):
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''' Replaces the contents of the T-matrix with those of a spherical particle.'''
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qpms_tmatrix_spherical_fill(&self.t, radius, k_int, k_ext, mu_int, mu_ext)
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def spherical_perm_fill(CTMatrix self, double radius, double freq, cdouble epsilon_int,
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cdouble epsilon_ext):
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'''Replaces the contenst of the T-matrix with those of a spherical particle.'''
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qpms_tmatrix_spherical_mu0_fill(&self.t, radius, freq, epsilon_int, epsilon_ext)
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@staticmethod
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def spherical(BaseSpec spec, double radius, cdouble k_int, cdouble k_ext,
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cdouble mu_int = 1, cdouble mu_ext = 1):
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''' Creates a T-matrix of a spherical nanoparticle. '''
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tm = CTMatrix(spec, 0)
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tm.spherical_fill(radius, k_int, k_ext, mu_int, mu_ext)
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return tm
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@staticmethod
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def spherical_perm(BaseSpec spec, double radius, double freq, cdouble epsilon_int, cdouble epsilon_ext):
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'''Creates a T-matrix of a spherical nanoparticle.'''
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tm = CTMatrix(spec, 0)
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tm.spherical_perm_fill(radius, freq, epsilon_int, epsilon_ext)
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return tm
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