def __init__(self, model_info):
""" Initialization"""
BaseComponent.__init__(self)
self.parameter_info = pars = model_info.parameter_info
# ===== Variable state which needs to be copied/saved =====
self.params = dict((p.name, p.default) for p in pars)
self.details = dict((p.name, [p.units, None, None]) for p in pars)
self.dispersion = dict((p.name, GaussianDispersion().get_pars())
for p in pars
if p.flags & (PF_Polydisperse | PF_Orientation))
#list of parameter that start out fixed by default
self.fixed = []
# ===== Fixed state that is not changed by the sasview gui =====
## Name of the model
self.name = model_info.name
self.description = model_info.description
self.non_fittable = [
p.name for p in pars if p.flags & (PF_Unfittable | PF_RepeatCount)
]
self.orientation_params = [
p.name for p in pars if p.flags & PF_Orientation
]
self.magnetic_params = [p.name for p in pars if p.flags & PF_Magnetic]
## independent parameter name and unit [string]
self.input_name = "Q"
self.input_unit = "A^{-1}"
## output name and unit [string]
self.output_name = "Intensity"
self.output_unit = "cm^{-1}"
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CPoly_GaussCoil.__init__, (self,))
CPoly_GaussCoil.__init__(self)
## Name of the model
self.name = "Poly_GaussCoil"
## Model description
self.description ="""I(q)=(scale)*2*[(1+U*x)^(-1/U)+x-1]/[(1+U)*x^2] + background
where x = [rg^2*q^2]
and the polydispersity is
U = [M_w/M_n]-1.
scale = scale factor * volume fraction
rg = radius of gyration
poly_m = polydispersity of molecular weight
background = incoherent background"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['rg'] = ['[A]', None, None]
self.details['poly_m'] = ['[Mw/Mn]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed=[]
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CSLDCalFunc.__init__, (self,))
CSLDCalFunc.__init__(self)
## Name of the model
self.name = "SLDCalFunc"
## Model description
self.description ="""To calculate sld values"""
## Parameter details [units, min, max]
self.details = {}
self.details['fun_type'] = ['', None, None]
self.details['npts_inter'] = ['', None, None]
self.details['shell_num'] = ['', None, None]
self.details['nu_inter'] = ['', None, None]
self.details['sld_left'] = ['[1/A^(2)]', None, None]
self.details['sld_right'] = ['[1/A^(2)]', None, None]
## fittable parameters
self.fixed=['</text>']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Debye"
self.description="""
F(x) = 2( exp(-x) + x - 1 )/x**2
with x = (q*R_g)**2
The model has three parameters:
Rg = radius of gyration
scale = scale factor
bkd = Constant background
"""
## Define parameters
self.params = {}
self.params['rg'] = 50.0
self.params['scale'] = 1.0
self.params['background'] = 0.0
## Parameter details [units, min, max]
self.details = {}
self.details['rg'] = ['[A]', None, None]
self.details['scale'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed= []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CLorentzian.__init__, (self,))
CLorentzian.__init__(self)
## Name of the model
self.name = "Lorentzian"
## Model description
self.description ="""f(x)=scale * 1/pi 0.5gamma / [ (x-x_0)^2 + (0.5gamma)^2 ]"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['gamma'] = ['', None, None]
self.details['center'] = ['', None, None]
## fittable parameters
self.fixed=[]
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CSchulz.__init__, (self,))
CSchulz.__init__(self)
## Name of the model
self.name = "Schulz"
## Model description
self.description =""" f(x)=scale * math.pow(z+1, z+1)*math.pow((R), z)*
math.exp(-R*(z+1))/(center*gamma(z+1)
z= math.pow[(1/(sigma/center),2]-1"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['sigma'] = ['', None, None]
self.details['center'] = ['', None, None]
## fittable parameters
self.fixed=[]
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CFlexCylEllipXModel.__init__, (self,))
CFlexCylEllipXModel.__init__(self)
## Name of the model
self.name = "FlexCylEllipXModel"
## Model description
self.description =""" Note : scale and contrast=sldCyl-sldSolv are both multiplicative factors in the
model and are perfectly correlated. One or
both of these parameters must be held fixed
during model fitting."""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['length'] = ['[A]', None, None]
self.details['kuhn_length'] = ['[A]', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['axis_ratio'] = ['', None, None]
self.details['sldCyl'] = ['[1/A^(2)]', None, None]
self.details['sldSolv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed=['length.width', 'kuhn_length.width', 'radius.width', 'axis_ratio.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Power_Law"
## Define parameters
self.params = {}
self.params['m'] = 4.0
self.params['scale'] = 1.0
self.params['background'] = 0.0
self.description=""" The Power_Law model.
F(x) = scale* (x)^(-m) + bkd
The model has three parameters:
m = power
scale = scale factor
bkd = incoherent background"""
## Parameter details [units, min, max]
self.details = {}
self.details['m'] = ['', 0, None]
self.details['scale'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed= []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Debye"
self.description = """
F(x) = 2( exp(-x) + x - 1 )/x**2
with x = (q*R_g)**2
The model has three parameters:
Rg = radius of gyration
scale = scale factor
bkd = Constant background
"""
## Define parameters
self.params = {}
self.params['rg'] = 50.0
self.params['scale'] = 1.0
self.params['background'] = 0.0
## Parameter details [units, min, max]
self.details = {}
self.details['rg'] = ['[A]', None, None]
self.details['scale'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CVesicleModel.__init__, (self,))
CVesicleModel.__init__(self)
## Name of the model
self.name = "VesicleModel"
## Model description
self.description ="""Model parameters: radius : the core radius of the vesicle
thickness: the shell thickness
core_sld: the core SLD
shell_sld: the shell SLD
background: incoherent background
scale : scale factor"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['thickness'] = ['[A]', None, None]
self.details['core_sld'] = ['[1/A^(2)]', None, None]
self.details['shell_sld'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed=['radius.width', 'thickness.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "GaussLorentzGel"
self.description = """I(q)=scale_g*exp(-q^2*Z^2/2)+scale_l/(1+q^2*z^2)
+ background
List of default parameters:
scale_g = Gauss scale factor
stat_colength = Static correlation length
scale_l = Lorentzian scale factor
dyn_colength = Dynamic correlation length
background = Incoherent background
"""
## Define parameters
self.params = {}
self.params['scale_g'] = 100.0
self.params['stat_colength'] = 100.0
self.params['scale_l'] = 50.0
self.params['dyn_colength'] = 20.0
self.params['background'] = 0.0
## Parameter details [units, min, max]
self.details = {}
self.details['scale_g'] = ['', None, None]
self.details['stat_colength'] = ['A', None, None]
self.details['scale_l'] = ['', None, None]
self.details['dyn_colength'] = ['A', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "TwoPowerLaw"
self.description = """I(q) = coef_A*pow(qval,-1.0*power1) for q<=qc
=C*pow(qval,-1.0*power2) for q>qc
where C=coef_A*pow(qc,-1.0*power1)/pow(qc,-1.0*power2).
List of default parameters:
coef_A = coefficient
power1 = (-) Power @ low Q
power2 = (-) Power @ high Q
qc = crossover Q-value
background = incoherent background
"""
## Define parameters
self.params = {}
self.params['coef_A'] = 1.0
self.params['power1'] = 1.0
self.params['power2'] = 4.0
self.params['qc'] = 0.04
self.params['background'] = 0.0
## Parameter details [units, min, max]
self.details = {}
self.details['coef_A'] = ['', None, None]
self.details['power1'] = ['', None, None]
self.details['power2'] = ['', None, None]
self.details['qc'] = ['1/A', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CGaussian.__init__, (self,))
CGaussian.__init__(self)
## Name of the model
self.name = "Gaussian"
## Model description
self.description ="""f(x)=scale * 1/(sigma^2*2pi)e^(-(x-mu)^2/2sigma^2)"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['sigma'] = ['', None, None]
self.details['center'] = ['', None, None]
## fittable parameters
self.fixed=[]
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CDiamCylFunc.__init__, (self,))
CDiamCylFunc.__init__(self)
## Name of the model
self.name = "DiamCylFunc"
## Model description
self.description ="""To calculate the 2nd virial coefficient for
the non-spherical object, then find the
radius of sphere that has this value of
virial coefficient."""
## Parameter details [units, min, max]
self.details = {}
self.details['radius'] = ['A', None, None]
self.details['length'] = ['A', None, None]
## fittable parameters
self.fixed=['radius.width', 'length.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CPoly_GaussCoil.__init__, (self,))
CPoly_GaussCoil.__init__(self)
## Name of the model
self.name = "Poly_GaussCoil"
## Model description
self.description = """I(q)=(scale)*2*[(1+U*x)^(-1/U)+x-1]/[(1+U)*x^2] + background
where x = [rg^2*q^2]
and the polydispersity is
U = [M_w/M_n]-1.
scale = scale factor * volume fraction
rg = radius of gyration
poly_m = polydispersity of molecular weight
background = incoherent background"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['rg'] = ['[A]', None, None]
self.details['poly_m'] = ['[Mw/Mn]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed = []
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "GuinierPorod"
self.description = """ I(q) = scale/q^s* exp ( - R_g^2 q^2 / (3-s) ) for q<= ql
= scale/q^m*exp((-ql^2*Rg^2)/(3-s))*ql^(m-s) for q>=ql
where ql = sqrt((m-s)(3-s)/2)/Rg.
List of parameters:
scale = Guinier Scale
s = Dimension Variable
Rg = Radius of Gyration [A]
m = Porod Exponent
background = Background [1/cm]"""
## Define parameters
self.params = {}
self.params['scale'] = 1.0
self.params['dim'] = 1.0
self.params['rg'] = 100.0
self.params['m'] = 3.0
self.params['background'] = 0.1
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['dim'] = ['', None, None]
self.details['rg'] = ['[A]', None, None]
self.details['m'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed = []
def __init__(self, model_info, parameter_collection):
""" Initialization"""
BaseComponent.__init__(self)
self.model_info = model_info
pars = model_info.parameters
# ===== Variable state which needs to be copied/saved =====
self.params = dict((p.name, p.default) for p in pars)
self.details = dict((p.name, [p.unit, None, None]) for p in pars)
self.dispersion = dict((p.name, GaussianDispersion().get_pars()) for p in pars
if p.flags & ParameterFlags.Polydisperse)
#list of parameter that start out fixed by default
self.fixed = []
# ===== Fixed state that is not changed by the sasview gui =====
## Name of the model
self.name = model_info.name
self.description = model_info.description
self.non_fittable = [p.name for p in pars
if p.flags & (ParameterFlags.Unfittable | ParameterFlags.RepeatCount)]
self.orientation_params = [p.name for p in pars
if p.flags & ParameterFlags.Orientation]
self.magnetic_params = [p.name for p in pars
if p.flags & ParameterFlags.Magnetic]
## independent parameter name and unit [string]
self.input_name = "Q"
self.input_unit = "A^{-1}"
## output name and unit [string]
self.output_name = "Intensity"
self.output_unit = "cm^{-1}"
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CLogNormal.__init__, (self,))
CLogNormal.__init__(self)
## Name of the model
self.name = "LogNormal"
## Model description
self.description = """f(x)=scale * 1/(sigma*math.sqrt(2pi))e^(-1/2*((math.log(x)-mu)/sigma)^2)"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['sigma'] = ['', None, None]
self.details['center'] = ['', None, None]
## fittable parameters
self.fixed = []
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "GuinierPorod"
self.description=""" I(q) = scale/q^s* exp ( - R_g^2 q^2 / (3-s) ) for q<= ql
= scale/q^m*exp((-ql^2*Rg^2)/(3-s))*ql^(m-s) for q>=ql
where ql = sqrt((m-s)(3-s)/2)/Rg.
List of parameters:
scale = Guinier Scale
s = Dimension Variable
Rg = Radius of Gyration [A]
m = Porod Exponent
background = Background [1/cm]"""
## Define parameters
self.params = {}
self.params['scale'] = 1.0
self.params['dim'] = 1.0
self.params['rg'] = 100.0
self.params['m'] = 3.0
self.params['background'] = 0.1
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['dim'] = ['', None, None]
self.details['rg'] = ['[A]', None, None]
self.details['m'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed= []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Power_Law"
## Define parameters
self.params = {}
self.params['m'] = 4.0
self.params['scale'] = 1.0
self.params['background'] = 0.0
self.description = """ The Power_Law model.
F(x) = scale* (x)^(-m) + bkd
The model has three parameters:
m = power
scale = scale factor
bkd = incoherent background"""
## Parameter details [units, min, max]
self.details = {}
self.details['m'] = ['', 0, None]
self.details['scale'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Peak Gauss Model"
self.description = """ F(q) = scale*exp( -1/2 *[(q-q0)/B]^2 )+ background
The model has three parameters:
scale = scale
q0 = peak position
B = standard deviation
background= incoherent background"""
## Define parameters
self.params = {}
self.params['scale'] = 100.0
self.params['q0'] = 0.05
self.params['B'] = 0.005
self.params['background'] = 1.0
## Parameter details [units, min, max]
self.details = {}
self.details['q0'] = ['[1/A]', None, None]
self.details['scale'] = ['', 0, None]
self.details['B'] = ['[1/A]', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CGaussian.__init__, (self,))
CGaussian.__init__(self)
## Name of the model
self.name = "Gaussian"
## Model description
self.description = """f(x)=scale * 1/(sigma^2*2pi)e^(-(x-mu)^2/2sigma^2)"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['sigma'] = ['', None, None]
self.details['center'] = ['', None, None]
## fittable parameters
self.fixed = []
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CDiamEllipFunc.__init__, (self,))
CDiamEllipFunc.__init__(self)
## Name of the model
self.name = "DiamEllipFunc"
## Model description
self.description ="""To calculate the 2nd virial coefficient for
the non-spherical object, then find the
radius of sphere that has this value of
virial coefficient:
radius_a = polar radius,
radius_b = equatorial radius;
radius_a > radius_b: Prolate spheroid,
radius_a < radius_b: Oblate spheroid."""
## Parameter details [units, min, max]
self.details = {}
self.details['radius_a'] = ['A', None, None]
self.details['radius_b'] = ['A', None, None]
## fittable parameters
self.fixed=['radius_a.width', 'radius_b.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CSchulz.__init__, (self,))
CSchulz.__init__(self)
## Name of the model
self.name = "Schulz"
## Model description
self.description = """ f(x)=scale * math.pow(z+1, z+1)*math.pow((R), z)*
math.exp(-R*(z+1))/(center*gamma(z+1)
z= math.pow[(1/(sigma/center),2]-1"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['sigma'] = ['', None, None]
self.details['center'] = ['', None, None]
## fittable parameters
self.fixed = []
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CVesicleModel.__init__, (self,))
CVesicleModel.__init__(self)
## Name of the model
self.name = "VesicleModel"
## Model description
self.description = """Model parameters: radius : the core radius of the vesicle
thickness: the shell thickness
core_sld: the core SLD
shell_sld: the shell SLD
background: incoherent background
scale : scale factor"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['thickness'] = ['[A]', None, None]
self.details['core_sld'] = ['[1/A^(2)]', None, None]
self.details['shell_sld'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed = ['radius.width', 'thickness.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CSLDCalFunc.__init__, (self,))
CSLDCalFunc.__init__(self)
## Name of the model
self.name = "SLDCalFunc"
## Model description
self.description = """To calculate sld values"""
## Parameter details [units, min, max]
self.details = {}
self.details['fun_type'] = ['', None, None]
self.details['npts_inter'] = ['', None, None]
self.details['shell_num'] = ['', None, None]
self.details['nu_inter'] = ['', None, None]
self.details['sld_left'] = ['[1/A^(2)]', None, None]
self.details['sld_right'] = ['[1/A^(2)]', None, None]
## fittable parameters
self.fixed = ['</text>']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CDiamCylFunc.__init__, (self,))
CDiamCylFunc.__init__(self)
## Name of the model
self.name = "DiamCylFunc"
## Model description
self.description = """To calculate the 2nd virial coefficient for
the non-spherical object, then find the
radius of sphere that has this value of
virial coefficient."""
## Parameter details [units, min, max]
self.details = {}
self.details['radius'] = ['A', None, None]
self.details['length'] = ['A', None, None]
## fittable parameters
self.fixed = ['radius.width', 'length.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Teubner Strey"
self.description="""The TeubnerStrey model.
F(x) = 1/( scale + c1*(x)^(2)+ c2*(x)^(4)) + bkd
The model has Four parameters:
scale = scale factor
c1 = constant
c2 = constant
bkd = incoherent background"""
## Define parameters
self.params = {}
self.params['c1'] = -30.0
self.params['c2'] = 5000.0
self.params['scale'] = 0.1
self.params['background'] = 0.0
## Parameter details [units, min, max]
self.details = {}
self.details['c1'] = ['', None, None ]
self.details['c2'] = ['', None, None ]
self.details['scale'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed= []
def setParam(self, name, value): """ """ if name.lower() in self.params: BaseComponent.setParam(self, name, value) else: self.model.setParam(name, value)
def __init__(self, name="Plugin Model"):
""" Initialization """
BaseComponent.__init__(self)
self.name = name
self.details = {}
self.params = {}
self.description = ''
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CFlexibleCylinderModel.__init__, (self,))
CFlexibleCylinderModel.__init__(self)
## Name of the model
self.name = "FlexibleCylinderModel"
## Model description
self.description = """ Note : scale and contrast=sldCyl-sldSolv are both multiplicative factors in the
model and are perfectly correlated. One or
both of these parameters must be held fixed
during model fitting."""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['length'] = ['[A]', None, None]
self.details['kuhn_length'] = ['[A]', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['sldCyl'] = ['[1/A^(2)]', None, None]
self.details['sldSolv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed = ['length.width', 'kuhn_length.width', 'radius.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "GaussLorentzGel"
self.description="""I(q)=scale_g*exp(-q^2*Z^2/2)+scale_l/(1+q^2*z^2)
+ background
List of default parameters:
scale_g = Gauss scale factor
stat_colength = Static correlation length
scale_l = Lorentzian scale factor
dyn_colength = Dynamic correlation length
background = Incoherent background
"""
## Define parameters
self.params = {}
self.params['scale_g'] = 100.0
self.params['stat_colength'] = 100.0
self.params['scale_l'] = 50.0
self.params['dyn_colength'] = 20.0
self.params['background'] = 0.0
## Parameter details [units, min, max]
self.details = {}
self.details['scale_g'] = ['', None, None]
self.details['stat_colength'] = ['A', None, None]
self.details['scale_l'] = ['', None, None]
self.details['dyn_colength'] = ['A', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed= []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Lorentz"
self.description="""Lorentz (Ornstein-Zernicke) model.
F(x) = scale/( 1 + (x*L)^2 ) + bkd
The model has three parameters:
L = screen Length\n\
scale = scale factor\n\
bkd = incoherent background"""
## Define parameters
self.params = {}
self.params['length'] = 50.0
self.params['scale'] = 1.0
self.params['background'] = 0.0
## Parameter details [units, min, max]
self.details = {}
self.details['length'] = ['[A]', None, None]
self.details['scale'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed= []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Peak Lorentz Model"
self.description=""" F(q) = scale/(1+[(q-q0)/B]^2 ) + background
The model has three parameters:
scale = scale
q0 = peak position
B = ( hwhm) half-width-halfmaximum
background= incoherent background"""
## Define parameters
self.params = {}
self.params['scale'] = 100.0
self.params['q0'] = 0.05
self.params['B'] = 0.005
self.params['background'] = 1.0
## Parameter details [units, min, max]
self.details = {}
self.details['q0'] = ['[1/A]', None, None]
self.details['scale'] = ['', 0, None]
self.details['B'] = ['[1/A]', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed= []
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "DAB_Model"
self.description = """F(x) = scale*(L^3)/( 1 + (x*L)^2 )^(2) + background
The model has three parameters:
L = Correlation Length
scale = scale factor
background = incoherent background"""
## Define parameters
self.params = {}
self.params['length'] = 50.0
self.params['scale'] = 1.0
self.params['background'] = 0.0
## Parameter details [units, min, max]
self.details = {}
self.details['length'] = ['[A]', None, None]
self.details['scale'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
#list of parameter that cannot be fitted
self.fixed = []
def __init__(self , name="Plugin Model" ):
""" Initialization """
BaseComponent.__init__(self)
self.name = name
self.details = {}
self.params = {}
self.description=''
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CCSParallelepipedModel.__init__, (self,))
CCSParallelepipedModel.__init__(self)
## Name of the model
self.name = "CSParallelepipedModel"
## Model description
self.description = """ Form factor for a rectangular Shell. Below are the Parameters.
scale: scale factor
shortA: length of short edge [A]
midB: length of another short edge [A]
longC: length of long edge of the parallelepiped [A]
rimA: length of short edge [A]
rimB: length of another short edge [A]
rimC: length of long edge of the parallelepiped [A]
sld_rimA: sld of rimA [1/A^(2)]
sld_rimB: sld of rimB [1/A^(2)]
sld_rimC: sld of rimC [1/A^(2)]
sld_core: Pipe_sld [1/A^(2)]
sld_solv: solvent_sld [1/A^(2)]
background: incoherent Background [1/cm]"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['shortA'] = ['[A]', None, None]
self.details['midB'] = ['[A]', None, None]
self.details['longC'] = ['[A]', None, None]
self.details['rimA'] = ['[A]', None, None]
self.details['rimB'] = ['[A]', None, None]
self.details['rimC'] = ['[A]', None, None]
self.details['sld_rimA'] = ['[1/A^(2)]', None, None]
self.details['sld_rimB'] = ['[1/A^(2)]', None, None]
self.details['sld_rimC'] = ['[1/A^(2)]', None, None]
self.details['sld_pcore'] = ['[1/A^(2)]', None, None]
self.details['sld_solv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
self.details['parallel_theta'] = ['[deg]', None, None]
self.details['parallel_phi'] = ['[deg]', None, None]
self.details['parallel_psi'] = ['[deg]', None, None]
## fittable parameters
self.fixed = [
'shortA.width', 'midB.width', 'longC.width', 'parallel_phi.width',
'parallel_psi.width', 'parallel_theta.width'
]
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = [
'parallel_phi', 'parallel_psi', 'parallel_theta',
'parallel_phi.width', 'parallel_psi.width', 'parallel_theta.width'
]
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CCoreShellEllipsoidModel.__init__, (self,))
CCoreShellEllipsoidModel.__init__(self)
## Name of the model
self.name = "CoreShellEllipsoidModel"
## Model description
self.description = """[SpheroidCoreShellModel] Calculates the form factor for an spheroid
ellipsoid particle with a core_shell structure.
The form factor is averaged over all possible
orientations of the ellipsoid such that P(q)
= scale*<f^2>/Vol + bkg, where f is the
single particle scattering amplitude.
[Parameters]:
equat_core = equatorial radius of core,
polar_core = polar radius of core,
equat_shell = equatorial radius of shell,
polar_shell = polar radius (revolution axis) of shell,
sld_core = SLD_core
sld_shell = SLD_shell
sld_solvent = SLD_solvent
background = Incoherent bkg
scale =scale
Note:It is the users' responsibility to ensure
that shell radii are larger than core radii.
oblate: polar radius < equatorial radius
prolate : polar radius > equatorial radius"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['equat_core'] = ['[A]', None, None]
self.details['polar_core'] = ['[A]', None, None]
self.details['equat_shell'] = ['[A]', None, None]
self.details['polar_shell'] = ['[A]', None, None]
self.details['sld_core'] = ['[1/A^(2)]', None, None]
self.details['sld_shell'] = ['[1/A^(2)]', None, None]
self.details['sld_solvent'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
self.details['axis_theta'] = ['[deg]', None, None]
self.details['axis_phi'] = ['[deg]', None, None]
## fittable parameters
self.fixed = [
'equat_core.width', 'polar_core.width', 'equat_shell.width',
'polar_shell.width', 'axis_phi.width', 'axis_theta.width'
]
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = [
'axis_phi', 'axis_theta', 'axis_phi.width', 'axis_theta.width'
]
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CCoreShellCylinderModel.__init__, (self,))
CCoreShellCylinderModel.__init__(self)
## Name of the model
self.name = "CoreShellCylinderModel"
## Model description
self.description ="""P(q,alpha)= scale/Vs*f(q)^(2) + bkg, where: f(q)= 2(core_sld
- solvant_sld)* Vc*sin[qLcos(alpha/2)]
/[qLcos(alpha/2)]*J1(qRsin(alpha))
/[qRsin(alpha)]+2(shell_sld-solvent_sld)
*Vs*sin[q(L+T)cos(alpha/2)][[q(L+T)
*cos(alpha/2)]*J1(q(R+T)sin(alpha))
/q(R+T)sin(alpha)]
alpha:is the angle between the axis of
the cylinder and the q-vector
Vs: the volume of the outer shell
Vc: the volume of the core
L: the length of the core
shell_sld: the scattering length density
of the shell
solvent_sld: the scattering length density
of the solvent
bkg: the background
T: the thickness
R+T: is the outer radius
L+2T: The total length of the outershell
J1: the first order Bessel function
theta: axis_theta of the cylinder
phi: the axis_phi of the cylinder..."""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['thickness'] = ['[A]', None, None]
self.details['length'] = ['[A]', None, None]
self.details['core_sld'] = ['[1/A^(2)]', None, None]
self.details['shell_sld'] = ['[1/A^(2)]', None, None]
self.details['solvent_sld'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
self.details['axis_theta'] = ['[deg]', None, None]
self.details['axis_phi'] = ['[deg]', None, None]
## fittable parameters
self.fixed=['axis_phi.width', 'axis_theta.width', 'length.width', 'radius.width', 'thickness.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = ['axis_phi', 'axis_theta', 'axis_phi.width', 'axis_theta.width']
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "NoStructure"
self.description=""" NoStructure factor
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Error!"
self.description="""Error model
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Cos"
self.description='F(x)=cos(x)'
## Parameter details [units, min, max]
self.details = {}
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
## Name of the model
self.name = "Cos"
self.description = 'F(x)=cos(x)'
## Parameter details [units, min, max]
self.details = {}
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CCoreShellEllipsoidModel.__init__, (self,))
CCoreShellEllipsoidModel.__init__(self)
## Name of the model
self.name = "CoreShellEllipsoidModel"
## Model description
self.description ="""[SpheroidCoreShellModel] Calculates the form factor for an spheroid
ellipsoid particle with a core_shell structure.
The form factor is averaged over all possible
orientations of the ellipsoid such that P(q)
= scale*<f^2>/Vol + bkg, where f is the
single particle scattering amplitude.
[Parameters]:
equat_core = equatorial radius of core,
polar_core = polar radius of core,
equat_shell = equatorial radius of shell,
polar_shell = polar radius (revolution axis) of shell,
sld_core = SLD_core
sld_shell = SLD_shell
sld_solvent = SLD_solvent
background = Incoherent bkg
scale =scale
Note:It is the users' responsibility to ensure
that shell radii are larger than core radii.
oblate: polar radius < equatorial radius
prolate : polar radius > equatorial radius"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['equat_core'] = ['[A]', None, None]
self.details['polar_core'] = ['[A]', None, None]
self.details['equat_shell'] = ['[A]', None, None]
self.details['polar_shell'] = ['[A]', None, None]
self.details['sld_core'] = ['[1/A^(2)]', None, None]
self.details['sld_shell'] = ['[1/A^(2)]', None, None]
self.details['sld_solvent'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
self.details['axis_theta'] = ['[deg]', None, None]
self.details['axis_phi'] = ['[deg]', None, None]
## fittable parameters
self.fixed=['equat_core.width', 'polar_core.width', 'equat_shell.width', 'polar_shell.width', 'axis_phi.width', 'axis_theta.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = ['axis_phi', 'axis_theta', 'axis_phi.width', 'axis_theta.width']
def __init__(self, base=None, other=None):
"""
@param base: component to multiply
@param other: component to multiply by
"""
BaseComponent.__init__(self)
# Component to multiply
self.operateOn = base
# Component to multiply by
self.other = other
# name
self.name = 'MulComponent'
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CEllipsoidModel.__init__, (self,))
CEllipsoidModel.__init__(self)
## Name of the model
self.name = "EllipsoidModel"
## Model description
self.description = """"P(q.alpha)= scale*f(q)^(2)+ bkg, where f(q)= 3*(sld_ell
- sld_solvent)*V*[sin(q*r(Ra,Rb,alpha))
-q*r*cos(qr(Ra,Rb,alpha))]
/[qr(Ra,Rb,alpha)]^(3)"
r(Ra,Rb,alpha)= [Rb^(2)*(sin(alpha))^(2)
+ Ra^(2)*(cos(alpha))^(2)]^(1/2)
scatter_sld: SLD of the scatter
solvent_sld: SLD of the solvent
sldEll: SLD of ellipsoid
sldSolv: SLD of solvent
V: volune of the Eliipsoid
Ra: radius along the rotation axis
of the Ellipsoid
Rb: radius perpendicular to the
rotation axis of the ellipsoid"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['radius_a'] = ['[A]', None, None]
self.details['radius_b'] = ['[A]', None, None]
self.details['sldEll'] = ['[1/A^(2)]', None, None]
self.details['sldSolv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
self.details['axis_theta'] = ['[deg]', None, None]
self.details['axis_phi'] = ['[deg]', None, None]
## fittable parameters
self.fixed = [
'axis_phi.width', 'axis_theta.width', 'radius_a.width',
'radius_b.width', 'length.width', 'r_minor.width'
]
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = [
'axis_phi.width', 'axis_theta.width', 'axis_phi', 'axis_theta'
]
def __init__(self, base=None, other=None):
"""
@param base: component to subtract from
@param other: component to subtract
"""
BaseComponent.__init__(self)
# Component to subtract from
self.operateOn = base
# Component to subtract
self.other = other
# name
self.name = 'SubComponent'
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CBCCrystalModel.__init__, (self,))
CBCCrystalModel.__init__(self)
## Name of the model
self.name = "BCCrystalModel"
## Model description
self.description = """P(q)=(scale/Vp)*V_lattice*P(q)*Z(q)+bkg where scale is the volume
fraction of sphere,
Vp = volume of the primary particle,
V_lattice = volume correction for
for the crystal structure,
P(q)= form factor of the sphere (normalized),
Z(q)= paracrystalline structure factor
for a face centered cubic structure.
[Body Centered Cubic ParaCrystal Model]
Parameters;
scale: volume fraction of spheres
bkg:background, R: radius of sphere
dnn: Nearest neighbor distance
d_factor: Paracrystal distortion factor
radius: radius of the spheres
sldSph: SLD of the sphere
sldSolv: SLD of the solvent
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['dnn'] = ['[A]', None, None]
self.details['d_factor'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['sldSph'] = ['[1/A^(2)]', None, None]
self.details['sldSolv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
self.details['theta'] = ['[deg]', None, None]
self.details['phi'] = ['[deg]', None, None]
self.details['psi'] = ['[deg]', None, None]
## fittable parameters
self.fixed = ['radius.width', 'phi.width', 'psi.width', 'theta.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = [
'phi', 'psi', 'theta', 'phi.width', 'psi.width', 'theta.width'
]
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CCSParallelepipedModel.__init__, (self,))
CCSParallelepipedModel.__init__(self)
## Name of the model
self.name = "CSParallelepipedModel"
## Model description
self.description =""" Form factor for a rectangular Shell. Below are the Parameters.
scale: scale factor
shortA: length of short edge [A]
midB: length of another short edge [A]
longC: length of long edge of the parallelepiped [A]
rimA: length of short edge [A]
rimB: length of another short edge [A]
rimC: length of long edge of the parallelepiped [A]
sld_rimA: sld of rimA [1/A^(2)]
sld_rimB: sld of rimB [1/A^(2)]
sld_rimC: sld of rimC [1/A^(2)]
sld_core: Pipe_sld [1/A^(2)]
sld_solv: solvent_sld [1/A^(2)]
background: incoherent Background [1/cm]"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['shortA'] = ['[A]', None, None]
self.details['midB'] = ['[A]', None, None]
self.details['longC'] = ['[A]', None, None]
self.details['rimA'] = ['[A]', None, None]
self.details['rimB'] = ['[A]', None, None]
self.details['rimC'] = ['[A]', None, None]
self.details['sld_rimA'] = ['[1/A^(2)]', None, None]
self.details['sld_rimB'] = ['[1/A^(2)]', None, None]
self.details['sld_rimC'] = ['[1/A^(2)]', None, None]
self.details['sld_pcore'] = ['[1/A^(2)]', None, None]
self.details['sld_solv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
self.details['parallel_theta'] = ['[deg]', None, None]
self.details['parallel_phi'] = ['[deg]', None, None]
self.details['parallel_psi'] = ['[deg]', None, None]
## fittable parameters
self.fixed=['shortA.width', 'midB.width', 'longC.width', 'parallel_phi.width', 'parallel_psi.width', 'parallel_theta.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = ['parallel_phi', 'parallel_psi', 'parallel_theta', 'parallel_phi.width', 'parallel_psi.width', 'parallel_theta.width']
def __init__(self, base=None, other=None):
"""
@param base: component to div
@param other: component to div by
"""
BaseComponent.__init__(self)
# Component to divide
self.operateOn = base
# Component to divide by
self.other = other
# name
self.name = 'DivComponent'
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CLamellarPSHGModel.__init__, (self,))
CLamellarPSHGModel.__init__(self)
## Name of the model
self.name = "LamellarPSHGModel"
## Model description
self.description ="""[Concentrated Lamellar (head+tail) Form Factor]: Calculates the
intensity from a lyotropic lamellar phase.
The intensity (form factor and structure factor)
calculated is for lamellae of two-layer scattering
length density that are randomly distributed in
solution (a powder average). The scattering
length density of the tail region, headgroup
region, and solvent are taken to be different.
The model can also be applied to large,
multi-lamellar vesicles.
No resolution smeared version is included
in the structure factor of this model.
*Parameters: spacing = repeat spacing,
deltaT = tail length,
deltaH = headgroup thickness,
n_plates = # of Lamellar plates
caille = Caille parameter (<0.8 or <1)
background = incoherent bgd
scale = scale factor ..."""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['spacing'] = ['[A]', None, None]
self.details['deltaT'] = ['[A]', None, None]
self.details['deltaH'] = ['[A]', None, None]
self.details['sld_tail'] = ['[1/A^(2)]', None, None]
self.details['sld_head'] = ['[1/A^(2)]', None, None]
self.details['sld_solvent'] = ['[1/A^(2)]', None, None]
self.details['n_plates'] = ['', None, None]
self.details['caille'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed=['deltaT.width', 'deltaH.width', 'spacing.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
def __init__(self, base=None, other=None):
"""
:param base: component to add to
:param other: component to add
"""
BaseComponent.__init__(self)
# Component to add to
self.operateOn = base
# Component to add
self.other = other
# name
self.name = 'AddComponent'
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CSCCrystalModel.__init__, (self,))
CSCCrystalModel.__init__(self)
## Name of the model
self.name = "SCCrystalModel"
## Model description
self.description ="""P(q)=(scale/Vp)*V_lattice*P(q)*Z(q)+bkg where scale is the volume
fraction of sphere,
Vp = volume of the primary particle,
V_lattice = volume correction for
for the crystal structure,
P(q)= form factor of the sphere (normalized),
Z(q)= paracrystalline structure factor
for a simple cubic structure.
[Simple Cubic ParaCrystal Model]
Parameters;
scale: volume fraction of spheres
bkg:background, R: radius of sphere
dnn: Nearest neighbor distance
d_factor: Paracrystal distortion factor
radius: radius of the spheres
sldSph: SLD of the sphere
sldSolv: SLD of the solvent
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['dnn'] = ['[A]', None, None]
self.details['d_factor'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['sldSph'] = ['[1/A^(2)]', None, None]
self.details['sldSolv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
self.details['theta'] = ['[deg]', None, None]
self.details['phi'] = ['[deg]', None, None]
self.details['psi'] = ['[deg]', None, None]
## fittable parameters
self.fixed=['radius.width', 'phi.width', 'psi.width', 'theta.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = ['phi', 'psi', 'theta', 'phi.width', 'psi.width', 'theta.width']
def __init__(self):
""" Initialization """
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CBarBellModel.__init__, (self,))
CBarBellModel.__init__(self)
## Name of the model
self.name = "BarBellModel"
## Model description
self.description ="""Calculates the scattering from a barbell-shaped cylinder. That is
a sphereocylinder with spherical end caps
that have a radius larger than that of
the cylinder and the center of the end cap
radius lies outside of the cylinder.
Note: As the length of cylinder(bar) -->0,
it becomes a dumbbell.
And when rad_bar = rad_bell,
it is a spherocylinder.
It must be that rad_bar <(=) rad_bell.
[Parameters];
scale: volume fraction of spheres,
background:incoherent background,
rad_bar: radius of the cylindrical bar,
len_bar: length of the cylindrical bar,
rad_bell: radius of the spherical bell,
sld_barbell: SLD of the barbell,
sld_solv: SLD of the solvent."""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['rad_bar'] = ['[A]', None, None]
self.details['len_bar'] = ['[A]', None, None]
self.details['rad_bell'] = ['[A]', None, None]
self.details['sld_barbell'] = ['[1/A^(2)]', None, None]
self.details['sld_solv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
self.details['theta'] = ['[deg]', None, None]
self.details['phi'] = ['[deg]', None, None]
## fittable parameters
self.fixed=['rad_bar.width', 'len_bar', 'rad_bell', 'phi.width', 'theta.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = ['phi', 'theta', 'phi.width', 'theta.width']
