#!/usr/bin/env python """ Provide F(x)= P(x)*S(x) + bkd Fractal as a BaseComponent model """ from sans.models.BaseComponent import BaseComponent import math from scipy.special import gamma class FractalModel(BaseComponent): """ Class that evaluates a Fractal function. F(x)= P(x)*S(x) + bkd The model has Seven parameters: scale = Volume fraction radius = Block radius fractal_dim = Fractal dimension corr_length = correlation Length block_sld = SDL block solvent_sld = SDL solvent background = background """ def __init__(self): """ Initialization """ # Initialize BaseComponent first, then sphere BaseComponent.__init__(self) ## Name of the model self.name = "Number Density Fractal" self.description=""" I(x)= P(x)*S(x) + bkd p(x)= scale* V^(2)*delta^(2)* F(x*Radius)^(2) F(x) = 3*[sin(x)-xcos(x)]/x**3 The model has Seven parameters: scale = Volume fraction radius = Block radius fractal_dim = Fractal dimension corr_length = correlation Length block_sld = SDL block solvent_sld = SDL solvent background = background """ ## Define parameters self.params = {} self.params['scale'] = 0.05 self.params['radius'] = 5.0 self.params['fractal_dim'] = 2.0 self.params['corr_length'] = 100.0 self.params['block_sld'] = 2.0e-6 self.params['solvent_sld'] = 6.0e-6 self.params['background'] = 0.0 ## Parameter details [units, min, max] self.details = {} self.details['scale'] = ['', None, None] self.details['radius'] = ['A', None, None] self.details['fractal_dim'] = ['', 0, None] self.details['corr_length'] = ['A', None, None] self.details['block_sld'] = ['A-2', None, None] self.details['solvent_sld'] = ['A-2', None, None] self.details['background'] = ['cm-1', None, None] def _Fractal(self, x): """ Evaluate F(x) = p(x) * s(x) + bkd """ #if x<0 and self.params['fractal_dim']>0: # raise ValueError, "negative number cannot be raised to a fractional power" #if x==0 and self.params['fractal_dim']==0: # return 1+self.params['background'] #elif x<0 and self.params['fractal_dim']==0: # return 1e+32 #else: return self.params['background']+ self._scatterRanDom(x)* self._Block(x) def _Block(self,x): #if self.params['fractal_dim']<0: # self.params['fractal_dim']=-self.params['fractal_dim'] try: if x<0: x=-x if self.params['radius']<0: self.params['radius']=-self.params['radius'] if x==0 or self.params['radius']==0 : return 1e+32 elif self.params['fractal_dim']==0: return 1.0 + (math.sin((self.params['fractal_dim']-1.0) * math.atan(x * self.params['corr_length']))\ * self.params['fractal_dim'] * gamma(self.params['fractal_dim']-1.0))\ *( math.pow( 1.0 + 1.0/((x**2)*(self.params['corr_length']**2)),1/2.0)) elif self.params['corr_length']==0 or self.params['fractal_dim']==1: return 1.0 + (math.sin((self.params['fractal_dim']-1.0) * math.atan(x * self.params['corr_length']))\ * self.params['fractal_dim'] * gamma(self.params['fractal_dim']-1.0))\ /( math.pow( (x*self.params['radius']), self.params['fractal_dim'])) elif self.params['fractal_dim']<1: return 1.0 + (math.sin((self.params['fractal_dim']-1.0) * math.atan(x * self.params['corr_length']))\ * self.params['fractal_dim'] * gamma(self.params['fractal_dim']-1.0))\ /( math.pow( (x*self.params['radius']), self.params['fractal_dim']))*\ math.pow( 1.0 + 1.0/((x**2)*(self.params['corr_length']**2)),(1-self.params['fractal_dim'])/2.0) else: return 1.0 + (math.sin((self.params['fractal_dim']-1.0) * math.atan(x * self.params['corr_length']))\ * self.params['fractal_dim'] * gamma(self.params['fractal_dim']-1.0))\ / math.pow( (x*self.params['radius']), self.params['fractal_dim'])\ /math.pow( 1.0 + 1.0/((x**2)*(self.params['corr_length']**2)),(self.params['fractal_dim']-1.0)/2.0) except: return 1 # Need a real fix. def _Spherical(self,x): """ F(x) = 3*[sin(x)-xcos(x)]/x**3 """ if x==0: return 0 else: return 3.0*(math.sin(x)-x*math.cos(x))/(math.pow(x,3.0)) def _scatterRanDom(self,x): """ calculate p(x)= scale* V^(2)*delta^(2)* F(x*Radius)^(2) """ V =(4.0/3.0)*math.pi* math.pow(self.params['radius'],3.0) delta = self.params['block_sld']-self.params['solvent_sld'] return 1.0e8*self.params['scale']* V *(delta**2)*\ (self._Spherical(x*self.params['radius'])**2) def run(self, x = 0.0): """ Evaluate the model @param x: input q-value (float or [float, float] as [r, theta]) @return: (Fractal value) """ if x.__class__.__name__ == 'list': # Take absolute value of Q, since this model is really meant to # be defined in 1D for a given length of Q #qx = math.fabs(x[0]*math.cos(x[1])) #qy = math.fabs(x[0]*math.sin(x[1])) return self._Fractal(math.fabs(x[0])) elif x.__class__.__name__ == 'tuple': raise ValueError, "Tuples are not allowed as input to BaseComponent models" else: return self._Fractal(x) def runXY(self, x = 0.0): """ Evaluate the model @param x: input q-value (float or [float, float] as [qx, qy]) @return: Fractal value """ if x.__class__.__name__ == 'list': q = math.sqrt(x[0]**2 + x[1]**2) return self._Fractal(q) elif x.__class__.__name__ == 'tuple': raise ValueError, "Tuples are not allowed as input to BaseComponent models" else: return self._Fractal(x)