348 lines
11 KiB
Python
348 lines
11 KiB
Python
# -*- encoding: utf-8 -*-
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import yafflib
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__author__ = 'markusro'
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from PyQt4.QtGui import QColor
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from PyQt4.QtCore import QObject, pyqtSignal, pyqtSlot
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import numpy as np
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from scipy import optimize as opt, odr
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def id_to_color( id ):
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colors = [
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QColor(255, 255, 255),
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QColor(168, 149, 17),
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QColor(45, 142, 15),
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QColor(160, 16, 36),
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QColor(54, 22, 115),
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QColor(36, 10, 85),
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QColor(118, 8, 23),
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QColor(31, 105, 7),
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QColor(124, 109, 8),
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]
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chosen_color = colors[id%len(colors)]
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return chosen_color
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class FitFunctionCreator(QObject):
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new_data = pyqtSignal(np.ndarray, np.ndarray)
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def __init__( self ):
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super(FitFunctionCreator, self).__init__()
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self.data = None
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self.functions = Functions()
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def fitfcn( self, p0, x, *funcs ):
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if x.ndim == 2:
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self.data = np.zeros(x.shape)
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else:
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self.data = np.zeros((2, x.size))
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ndx = 0
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for fn in funcs: # loop over functions and add the results
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f, num_p = fn.function, fn.param_number
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p = p0[ndx:ndx+num_p]
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if x.ndim == 2:
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x = x[0]
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result = f(p, x)
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# fn.widget.updateTable(p)
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self.data += result # fit functions take only 1-dim x
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ndx += num_p
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self.new_data.emit(x, self.data)
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return self.data
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def fitfcn_imag( self, p0, x, *funcs ):
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if x.ndim == 2:
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self.data = np.zeros(x.shape)
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else:
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self.data = np.zeros((2, x.size))
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ndx = 0
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for fn in funcs: # loop over functions and add the results
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f, num_p = fn.function, fn.param_number
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p = p0[ndx:ndx+num_p]
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if x.ndim == 2:
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x = x[0]
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result = f(p, x)
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self.data += result # fit functions take only 1-dim x
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ndx += num_p
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self.new_data.emit(x, self.data)
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return self.data[1]
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class FitRoutine(QObject):
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finished_fit = pyqtSignal()
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data_ready = pyqtSignal(np.ndarray, np.ndarray)
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def __init__( self ):
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super(FitRoutine, self).__init__()
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self.f = FitFunctionCreator()
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self.f.new_data.connect(self.data_ready.emit)
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self._fitter = self.fit_odr_cmplx
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self._odr_fit = None
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self._start_parameter = None
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@property
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def start_parameter( self ):
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return self._start_parameter
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@start_parameter.setter
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def start_paramter( self, p0 ):
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self._start_parameter = p0
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@property
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def fitter( self ):
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return self._fitter
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@fitter.setter
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def fitter( self, f ):
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self._fitter = f
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def fit_odr_cmplx( self, x, y, p0, fixed, fcns ):
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self._start_parameter = p0
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if np.iscomplexobj(y) and y.ndim == 1:
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weights = 1/np.abs(y)**2
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we = np.resize(weights, (2, weights.size))
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# we = 1/N.array([y.real**2, y.imag**2])
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y = np.array([y.real, y.imag])
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else:
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raise NotImplementedError, "need complex input for now"
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dat = odr.Data(x, y, we=we)
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mod = odr.Model(self.f.fitfcn, extra_args=fcns)
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self._odr_fit = odr.ODR(dat, mod, p0, ifixx=(0,), ifixb=fixed, maxit=800)
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def fit_odr_imag( self, x, y, p0, fixed, fcns ):
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self._start_parameter = p0
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if np.iscomplexobj(y) and y.ndim == 1:
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we = 1/np.imag(y)**2
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else:
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raise NotImplementedError, "need complex input for now"
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dat = odr.Data(x, y.imag, we=we)
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mod = odr.Model(self.f.fitfcn_imag, extra_args=fcns)
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self._odr_fit = odr.ODR(dat, mod, p0, ifixx=(0,), ifixb=fixed, maxit=800)
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@pyqtSlot()
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def fit( self ):
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try:
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self._odr_fit.run()
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except RuntimeError:
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print "muh"
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self.finished_fit.emit()
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def result( self ):
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if self._odr_fit.output is None:
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self._odr_fit.output = odr.Output([self.start_parameter, None, None])
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self._odr_fit.output.stopreason = ["Aborted by user"]
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return self._odr_fit.output
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class FunctionRegister:
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def __init__( self ):
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self.registry = { }
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def register_function( self, obj ):
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# print "FR: Registering:",obj
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id_string = obj.id_label
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if self.registry.has_key(obj):
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raise AssertionError, "The object is already registered! This should NOT happen"
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self.registry[obj] = id_string
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#print "FR: ",self.registry
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def unregister_function( self, obj ):
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# print "FR: UnRegistering:",obj
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if self.registry.has_key(obj):
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self.registry.pop(obj)
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else:
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obj.deleteLater()
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raise AssertionError, "The object is not in the registry! This should NOT happen"
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#print "FR: ",self.registry
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def get_registered_functions( self ):
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return self.registry
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# ############# deprecated #####################
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def fit_odr_cmplx( x, y, p0, fixed, fcns ):
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f = FitFunctionCreator()
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#if x.ndim < 2:
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# x = N.resize(x, (2,x.size))
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if np.iscomplexobj(y) and y.ndim == 1:
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weights = 1/np.abs(y)**2
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we = np.resize(weights, (2, weights.size))
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#we = 1/N.array([y.real**2, y.imag**2])
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y = np.array([y.real, y.imag])
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else:
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raise NotImplementedError, "need complex input for now"
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dat = odr.Data(x, y, we=we)
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mod = odr.Model(f.fitfcn, extra_args=fcns)
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fit = odr.ODR(dat, mod, p0, ifixx=(0,), ifixb=fixed, maxit=8000)
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fit.run()
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#print fit.output.pprint()
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return fit.output
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### define funcs here
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class Functions(QObject):
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def __init__( self ):
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super(Functions, self).__init__()
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self.list = {
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# provides functions: "id_string":(function, number_of_parameters)
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"hn": (self.hn_cmplx, 4),
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"conductivity": (self.cond_cmplx, 3),
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"power": (self.power_cmplx, 2),
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"static": (self.static_cmplx, 1),
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"yaff": (self.yaff, 8)
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}
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self.YAFF = yafflib.Yaff()
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def hn_cmplx( self, p, x ):
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om = 2*np.pi*x
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#hn = om*1j
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eps, t, a, b = p
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hn = eps/(1+(1j*om*t)**a)**b
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cplx = np.array([hn.real, -hn.imag])
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return cplx
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def cond_cmplx( self, p, x ):
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om = 2*np.pi*x
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sgma, isgma, n = p
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cond = sgma/(om**n)+isgma/(1j*om**n) # Jonscher (Universal Dielectric Response: e",e' prop sigma/omega**n
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cplx = np.array([cond.real, -cond.imag])
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return cplx
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def power_cmplx( self, p, x ):
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om = 2*np.pi*x
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sgma, n = p
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power = sgma/(om*1j)**n
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cplx = np.array([power.real, -power.imag])
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return cplx
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def static_cmplx( self, p, x ):
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eps_inf = p[0]
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static = np.ones((2, x.size))*eps_inf
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static[1, :] *= 0 # set imag part zero
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#cplx = N.array([static.real, static.imag])
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return static
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def yaff( self, p, x ):
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ya = self.YAFF.yaff(p[:8], x)
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cplx = np.array([ya.imag, ya.real])
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return cplx
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def get( self, name ):
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return self.list[name]
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def get_function( self, name ):
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return self.list[name][0]
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def fit_anneal( x, y, p0, fixed, funcs ):
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raise NotImplementedError
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bounds = [(0, 1e14), (0, 1)]
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for i in xrange(len(p0[2:])/4):
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bounds.append((1e-4, 1e12)) # delta_eps
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bounds.append((1e-12, 1e3)) # tau
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bounds.append((0.1, 1)) # a
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bounds.append((0.1, 1)) # b
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ret = opt.anneal(mini_func, p0,
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args=(x, y),
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maxeval=20000,
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maxiter=30000,
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lower=[b[0] for b in bounds],
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upper=[b[1] for b in bounds],
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dwell=100,
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full_output=1)
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#pmin, func_min, final_Temp, cooling_iters,accepted_tests, retval
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#retval : int
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#Flag indicating stopping condition::
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# 0 : Points no longer changing
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# 1 : Cooled to final temperature
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# 2 : Maximum function evaluations
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# 3 : Maximum cooling iterations reached
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# 4 : Maximum accepted query locations reached
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# 5 : Final point not the minimum amongst encountered points
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print "Stop reason", ret
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return ret[0]
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def fit_lbfgsb( x, y, p0, fixed, funcs ):
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raise NotImplementedError
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# TODO fixed parameters…
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bounds = [(0, None), (0, 1)]
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for i in xrange(len(p0[3:])/4):
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bounds.append((1e-4, 1e12)) # delta_eps
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bounds.append((1e-12, 1e3)) # tau
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bounds.append((0.1, 1)) # a
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bounds.append((0.1, 1)) # b
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x, f_minvalue, info_dict = opt.fmin_l_bfgs_b(mini_func, p0,
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fprime=None,
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args=(x, y),
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approx_grad=True,
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bounds=bounds,
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iprint=0,
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maxfun=4000)
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if info_dict['warnflag'] != 0:
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print info_dict["task"]
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return x
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# Replaced with fit_odr_cmplx
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#
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#def fit_odr(x, y, p0, fixed, funcs):
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# dat = odr.Data(x, y, 1.0 / y**2)
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# mod = odr.Model(multi_hn)
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# fit = odr.ODR(dat, mod, p0, ifixx=(0,), ifixb=fixed, maxit=2000)
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# fit.run()
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# return fit.output.beta
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def hn( p, nu ):
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delta_eps, tau, a, b = p
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om = 2*np.pi*nu
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Phi = np.arctan((om*tau)**a*np.sin(np.pi*a/2.)/(1.+(om*tau)**a*np.cos(np.pi*a/2.)))
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e_loss = delta_eps*(1+2*(om*tau)**a*np.cos(np.pi*a/2.)+(om*tau)**(2.*a) )**(
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-b/2.)*np.sin(b*Phi)
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e_stor = delta_eps*(1+2*(om*tau)**a*np.cos(np.pi*a/2.)+(om*tau)**(2.*a) )**(
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-b/2.)*np.cos(b*Phi)
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return e_loss # 2* oder nicht?
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def mini_func( p, x, y ):
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res = y-multi_hn(p, x)
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# apply weights
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res /= 1/y
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return np.sqrt(np.dot(res, res))
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def multi_hn( p, nu ):
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conductivity = p[1]
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cond_beta = p[2]
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om = 2*np.pi*nu
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e_loss = conductivity/om**cond_beta
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e_loss += p[0]
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#for key, igroup in groupby(p[3:], lambda x: x//4):
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for i in xrange(len(p[3:])/4):
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delta_eps, tau, a, b = p[3+i*4:3+(i+1)*4]
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#delta_eps, tau, a, b = list(igroup)
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#print delta_eps,tau,a,b
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#a = 0.5 *(1 + N.tanh(a))
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#b = 0.5 *(1 + N.tanh(b))
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Phi = np.arctan((om*tau)**a*np.sin(np.pi*a/2.)/(1.+(om*tau)**a*np.cos(np.pi*a/2.)))
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e_loss += 2*delta_eps*(1+2*(om*tau)**a*np.cos(np.pi*a/2.)+(om*tau)**(2.*a) )**(
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-b/2.)*np.sin(b*Phi)
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#e_stor = delta_eps * (1+ 2*(om*tau)**a * N.cos(N.pi*a/2.) + (om*tau)**(2.*a) )**(-b/2.)*N.cos(b*Phi)
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return e_loss
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def tau_peak( f, a, b ):
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tau = (np.sin(np.pi*a/2./(b+1))/np.sin(np.pi*a*b/2./(b+1)))**(1/a)
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tau /= 2*np.pi*f
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return tau
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