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)
## 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 = "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)
## 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, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CEllipticalCylinderModel.__init__, (self,))
CEllipticalCylinderModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "EllipticalCylinderModel"
## Model description
self.description = """
Model parameters: r_minor = the radius of minor axis of the cross section
r_ratio = the ratio of (r_major /r_minor >= 1)
length = the length of the cylinder
sldCyl = SLD of the cylinder
sldSolv = SLD of solvent -
background = incoherent background
"""
## Parameter details [units, min, max]
self.details = {}
self.details['r_minor'] = ['[A]', None, None]
self.details['scale'] = ['', None, None]
self.details['r_ratio'] = ['', None, None]
self.details['length'] = ['[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]
self.details['cyl_theta'] = ['[deg]', None, None]
self.details['cyl_phi'] = ['[deg]', None, None]
self.details['cyl_psi'] = ['[deg]', None, None]
## fittable parameters
self.fixed = ['cyl_phi.width',
'cyl_theta.width',
'cyl_psi.width',
'length.width',
'r_minor.width',
'r_ratio.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = ['cyl_phi',
'cyl_theta',
'cyl_psi',
'cyl_phi.width',
'cyl_theta.width',
'cyl_psi.width']
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
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)
## 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)
## 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 = "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)
## 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, name="Plugin Model"):
""" Initialization """
BaseComponent.__init__(self)
self.name = name
self.details = {}
self.params = {}
self.description = 'plugin model'
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 = "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 , name="Plugin Model" ):
""" Initialization """
BaseComponent.__init__(self)
self.name = name
self.details = {}
self.params = {}
self.description = 'plugin model'
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, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CLinearPearlsModel.__init__, (self,))
CLinearPearlsModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "LinearPearlsModel"
## Model description
self.description = """
Calculate form factor for Pearl Necklace Model
[Macromol. 1996, 29, 2974-2979]
Parameters:
background:background
scale: scale factor
sld_pearl: the SLD of the pearl spheres
sld_solv: the SLD of the solvent
num_pearls: number of the pearls
radius: the radius of a pearl
edge_separation: the length of string segment; surface to surface
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['edge_separation'] = ['[A]', None, None]
self.details['num_pearls'] = ['', None, None]
self.details['sld_pearl'] = ['[1/A^(2)]', None, None]
self.details['sld_solv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['', None, None]
self.details['scale'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['edge_separation'] = ['[A]', None, None]
self.details['num_pearls'] = ['', None, None]
self.details['sld_pearl'] = ['[1/A^(2)]', None, None]
self.details['sld_solv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['', None, None]
## fittable parameters
self.fixed = ['radius.width',
'edge_separation.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CLinearPearlsModel.__init__, (self,))
CLinearPearlsModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "LinearPearlsModel"
## Model description
self.description = """
Calculate form factor for Pearl Necklace Model
[Macromol. 1996, 29, 2974-2979]
Parameters:
background:background
scale: scale factor
sld_pearl: the SLD of the pearl spheres
sld_solv: the SLD of the solvent
num_pearls: number of the pearls
radius: the radius of a pearl
edge_separation: the length of string segment; surface to surface
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['edge_separation'] = ['[A]', None, None]
self.details['num_pearls'] = ['', None, None]
self.details['sld_pearl'] = ['[1/A^(2)]', None, None]
self.details['sld_solv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['', None, None]
self.details['scale'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['edge_separation'] = ['[A]', None, None]
self.details['num_pearls'] = ['', None, None]
self.details['sld_pearl'] = ['[1/A^(2)]', None, None]
self.details['sld_solv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['', None, None]
## fittable parameters
self.fixed = ['radius.width', 'edge_separation.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def setParam(self, name, value):
"""
Set a parameter value
:param name: parameter name
"""
if name.lower() in self.params:
BaseComponent.setParam(self, name, value)
else:
self.model.setParam(name, value)
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 = "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 = "Error!"
self.description = """Error model
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CTriaxialEllipsoidModel.__init__, (self,))
CTriaxialEllipsoidModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "TriaxialEllipsoidModel"
## Model description
self.description = """
Note: During fitting ensure that the inequality A<B<C is not
violated. Otherwise the calculation will
not be correct.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['semi_axisA'] = ['[A]', None, None]
self.details['semi_axisB'] = ['[A]', None, None]
self.details['semi_axisC'] = ['[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]
self.details['axis_psi'] = ['[deg]', None, None]
## fittable parameters
self.fixed = ['axis_psi.width',
'axis_phi.width',
'axis_theta.width',
'semi_axisA.width',
'semi_axisB.width',
'semi_axisC.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = ['axis_psi',
'axis_phi',
'axis_theta',
'axis_psi.width',
'axis_phi.width',
'axis_theta.width']
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CEllipticalCylinderModel.__init__, (self,))
CEllipticalCylinderModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "EllipticalCylinderModel"
## Model description
self.description = """
Model parameters: r_minor = the radius of minor axis of the cross section
r_ratio = the ratio of (r_major /r_minor >= 1)
length = the length of the cylinder
sldCyl = SLD of the cylinder
sldSolv = SLD of solvent -
background = incoherent background
"""
## Parameter details [units, min, max]
self.details = {}
self.details['r_minor'] = ['[A]', None, None]
self.details['scale'] = ['', None, None]
self.details['r_ratio'] = ['', None, None]
self.details['length'] = ['[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]
self.details['cyl_theta'] = ['[deg]', None, None]
self.details['cyl_phi'] = ['[deg]', None, None]
self.details['cyl_psi'] = ['[deg]', None, None]
## fittable parameters
self.fixed = [
'cyl_phi.width', 'cyl_theta.width', 'cyl_psi.width',
'length.width', 'r_minor.width', 'r_ratio.width'
]
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = [
'cyl_phi', 'cyl_theta', 'cyl_psi', 'cyl_phi.width',
'cyl_theta.width', 'cyl_psi.width'
]
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CRaspBerryModel.__init__, (self,))
CRaspBerryModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "RaspBerryModel"
## Model description
self.description = """
RaspBerryModel:
volf_Lsph = volume fraction large spheres
radius_Lsph = radius large sphere (A)
sld_Lsph = sld large sphere (A-2)
volf_Ssph = volume fraction small spheres
radius_Ssph = radius small sphere (A)
surfrac_Ssph = fraction of small spheres at surface
sld_Ssph = sld small sphere
delta_Ssph = small sphere penetration (A)
sld_solv = sld solvent
background = background (cm-1)
Ref: J. coll. inter. sci. (2010) vol. 343 (1) pp. 36-41.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['volf_Lsph'] = ['', None, None]
self.details['radius_Lsph'] = ['[A]', None, None]
self.details['sld_Lsph'] = ['[1/A^(2)]', None, None]
self.details['volf_Ssph'] = ['', None, None]
self.details['radius_Ssph'] = ['[A]', None, None]
self.details['surfrac_Ssph'] = ['', None, None]
self.details['sld_Ssph'] = ['[1/A^(2)]', None, None]
self.details['delta_Ssph'] = ['', None, None]
self.details['sld_solv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed = ['radius_Lsph.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CHollowCylinderModel.__init__, (self,))
CHollowCylinderModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "HollowCylinderModel"
## Model description
self.description = """
P(q) = scale*<f*f>/Vol + bkg, where f is the scattering amplitude.
core_radius = the radius of core
radius = the radius of shell
length = the total length of the cylinder
sldCyl = SLD of the shell
sldSolv = SLD of the solvent
background = incoherent background
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['core_radius'] = ['[A]', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['length'] = ['[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]
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',
'core_radius.width', 'radius'
]
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = [
'axis_phi', 'axis_theta', 'axis_phi.width', 'axis_theta.width'
]
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CStickyHSStructure.__init__, (self,))
CStickyHSStructure.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "StickyHSStructure"
## Model description
self.description = """
Structure Factor for interacting particles: .
The interaction potential is
U(r)= inf , r < 2R
= -Uo , 2R < r < 2R + w
= 0 , r >= 2R +w
R: effective radius of the hardsphere
stickiness = [exp(Uo/kT)]/(12*perturb)
perturb = w/(w+ 2R) , 0.01 =< w <= 0.1
w: The width of the square well ,w > 0
v: The volume fraction , v > 0
Ref: Menon, S. V. G.,et.al., J. Chem.
Phys., 1991, 95(12), 9186-9190.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['effect_radius'] = ['[A]', None, None]
self.details['volfraction'] = ['', None, None]
self.details['perturb'] = ['', None, None]
self.details['stickiness'] = ['', None, None]
## fittable parameters
self.fixed = ['effect_radius.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CHayterMSAStructure.__init__, (self,))
CHayterMSAStructure.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "HayterMSAStructure"
## Model description
self.description = """
To calculate the structure factor (the Fourier transform of the
pair correlation function g(r)) for a system of
charged, spheroidal objects in a dielectric
medium.
When combined with an appropriate form
factor, this allows for inclusion of
the interparticle interference effects
due to screened coulomb repulsion between
charged particles.
(Note: charge > 0 required.)
Ref: JP Hansen and JB Hayter, Molecular
Physics 46, 651-656 (1982).
"""
## Parameter details [units, min, max]
self.details = {}
self.details['effect_radius'] = ['[A]', None, None]
self.details['charge'] = ['', None, None]
self.details['volfraction'] = ['', None, None]
self.details['temperature'] = ['[K]', None, None]
self.details['saltconc'] = ['[M]', None, None]
self.details['dielectconst'] = ['', None, None]
## fittable parameters
self.fixed = ['effect_radius.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CHayterMSAStructure.__init__, (self,))
CHayterMSAStructure.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "HayterMSAStructure"
## Model description
self.description = """
To calculate the structure factor (the Fourier transform of the
pair correlation function g(r)) for a system of
charged, spheroidal objects in a dielectric
medium.
When combined with an appropriate form
factor, this allows for inclusion of
the interparticle interference effects
due to screened coulomb repulsion between
charged particles.
(Note: charge > 0 required.)
Ref: JP Hansen and JB Hayter, Molecular
Physics 46, 651-656 (1982).
"""
## Parameter details [units, min, max]
self.details = {}
self.details['effect_radius'] = ['[A]', None, None]
self.details['charge'] = ['', None, None]
self.details['volfraction'] = ['', None, None]
self.details['temperature'] = ['[K]', None, None]
self.details['saltconc'] = ['[M]', None, None]
self.details['dielectconst'] = ['', None, None]
## fittable parameters
self.fixed = ['effect_radius.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CRectangularHollowPrismModel.__init__, (self,))
CRectangularHollowPrismModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "RectangularHollowPrismModel"
## Model description
self.description = """
Form factor for a hollow rectangular prism with uniform scattering length density.
scale:Scale factor
short_side: shortest side of the rectangular prism [A]
b2a_ratio: ratio b/a [adim]
c2a_ratio: ratio c/a [adim]
thickness: thickness of the walls [A]
sldPipe: Pipe_sld
sldSolv: solvent_sld
background:Incoherent Background [1/cm]
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['short_side'] = ['[A]', None, None]
self.details['b2a_ratio'] = ['[adim]', None, None]
self.details['c2a_ratio'] = ['[adim]', None, None]
self.details['thickness'] = ['[A]', None, None]
self.details['sldPipe'] = ['[1/A^(2)]', None, None]
self.details['sldSolv'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed = [
'short_side.width', 'b2a_ratio.width', 'c2a_ratio.width',
'thicness.width'
]
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
BaseComponent.__init__(self)
"""
:param multfactor: number of cases in the model, assumes 0<= case# <=10.
"""
## Setting model name model description
self.description = ""
model = RPAModel()
self.model = model
self.name = "RPA10Model"
self.description = model.description
self.case_num = multfactor
## Define parameters
self.params = {}
## Parameter details [units, min, max]
self.details = {}
# non-fittable parameters
self.non_fittable = model.non_fittable
# list of function in order of the function number
self.fun_list = self._get_func_list()
## dispersion
self._set_dispersion()
## Define parameters
self._set_params()
## Parameter details [units, min, max]
self._set_details()
# list of parameter that can be fitted
self._set_fixed_params()
self.model.params["lcase_n"] = self.case_num
## functional multiplicity of the model
self.multiplicity_info = [
max_case_n,
"Case No.:",
[
"C/D Binary Mixture of Homopolymers",
"C-D Diblock Copolymer",
"B/C/D Ternary Mixture of Homopolymers",
"B/C-D Mixture of Homopolymer B and Diblock Copolymer C-D",
"B-C-D Triblock Copolymer",
"A/B/C/D Quaternary Mixture of Homopolymers",
"A/B/C-D Mixture of Homopolymer A/B and Diblock C-D",
"A/B-C-D Mixture of Homopolymer A and triblock B-C-D",
"A-B/C-D Mixture of Diblock Copolymer A-B and Diblock C-D",
"A-B-C-D Four-block Copolymer",
],
[],
]
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CStickyHSStructure.__init__, (self,))
CStickyHSStructure.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "StickyHSStructure"
## Model description
self.description = """
Structure Factor for interacting particles: .
The interaction potential is
U(r)= inf , r < 2R
= -Uo , 2R < r < 2R + w
= 0 , r >= 2R +w
R: effective radius of the hardsphere
stickiness = [exp(Uo/kT)]/(12*perturb)
perturb = w/(w+ 2R) , 0.01 =< w <= 0.1
w: The width of the square well ,w > 0
v: The volume fraction , v > 0
Ref: Menon, S. V. G.,et.al., J. Chem.
Phys., 1991, 95(12), 9186-9190.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['effect_radius'] = ['[A]', None, None]
self.details['volfraction'] = ['', None, None]
self.details['perturb'] = ['', None, None]
self.details['stickiness'] = ['', None, None]
## fittable parameters
self.fixed = ['effect_radius.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CCore2ndMomentModel.__init__, (self,))
CCore2ndMomentModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "Core2ndMomentModel"
## Model description
self.description = """
Calculate CoreSecondMoment Model
scale:calibration factor,
density_poly: density of the layer
sld_poly: the SLD of the layer
volf_cores: volume fraction of cores
ads_amount: adsorbed amount
second_moment: second moment of the layer
sld_solv: the SLD of the solvent
background
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['density_poly'] = ['[g/cm^(3)]', None, None]
self.details['sld_poly'] = ['[1/A^(2)]', None, None]
self.details['radius_core'] = ['[A]', None, None]
self.details['volf_cores'] = ['', None, None]
self.details['ads_amount'] = ['[mg/m^(2)]', None, None]
self.details['sld_solv'] = ['[1/A^(2)]', None, None]
self.details['second_moment'] = ['[A]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed = ['radius_core.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CSquareWellStructure.__init__, (self,))
CSquareWellStructure.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "SquareWellStructure"
## Model description
self.description = """
Structure Factor for interacting particles: .
The interaction potential is
U(r)= inf , r < 2R
= -d , 2R <= r <=2Rw
= 0 , r >= 2Rw
R: effective radius (A)of the particle
v: volume fraction
d: well depth
w: well width; multiples of the
particle diameter
Ref: Sharma, R. V.; Sharma,
K. C., Physica, 1977, 89A, 213.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['effect_radius'] = ['[A]', None, None]
self.details['volfraction'] = ['', None, None]
self.details['welldepth'] = ['[kT]', None, None]
self.details['wellwidth'] = ['', None, None]
## fittable parameters
self.fixed = ['effect_radius.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
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, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CSquareWellStructure.__init__, (self,))
CSquareWellStructure.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "SquareWellStructure"
## Model description
self.description = """
Structure Factor for interacting particles: .
The interaction potential is
U(r)= inf , r < 2R
= -d , 2R <= r <=2Rw
= 0 , r >= 2Rw
R: effective radius (A)of the particle
v: volume fraction
d: well depth
w: well width; multiples of the
particle diameter
Ref: Sharma, R. V.; Sharma,
K. C., Physica, 1977, 89A, 213.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['effect_radius'] = ['[A]', None, None]
self.details['volfraction'] = ['', None, None]
self.details['welldepth'] = ['[kT]', None, None]
self.details['wellwidth'] = ['', None, None]
## fittable parameters
self.fixed = ['effect_radius.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CMassFractalModel.__init__, (self,))
CMassFractalModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "MassFractalModel"
## Model description
self.description = """
The scattering intensity I(x) = scale*P(x)*S(x) + background, where
scale = scale_factor * V * delta^(2)
p(x)= F(x*radius)^(2)
F(x) = 3*[sin(x)-x cos(x)]/x**3
S(x) = [(gamma(Dm-1)*colength^(Dm-1)*[1+(x^2*colength^2)]^((1-Dm)/2)
* sin[(Dm-1)*arctan(x*colength)])/x]
where delta = sldParticle -sldSolv.
radius = Particle radius
mass_dim = Mass fractal dimension
co_length = Cut-off length
background = background
Ref.:Mildner, Hall,J Phys D Appl Phys(1986), 9, 1535-1545
Note I: This model is valid for 1<mass_dim<6.
Note II: This model is not in absolute scale.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['mass_dim'] = ['', None, None]
self.details['co_length'] = ['[A]', None, None]
self.details['background'] = ['', None, None]
## fittable parameters
self.fixed = []
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
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, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CLamellarPCrystalModel.__init__, (self,))
CLamellarPCrystalModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "LamellarPCrystalModel"
## Model description
self.description = """
[Lamellar ParaCrystal Model] Parameter Definitions: scale = scale factor,
background = incoherent background
thickness = lamellar thickness,
sld_layer = layer scattering length density ,
sld_solvent = solvent scattering length density.
Nlayers = no. of lamellar layers
spacing = spacing between layers
pd_spacing = polydispersity of spacing
Note: This model can be used for large
multilamellar vesicles.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['thickness'] = ['[A]', None, None]
self.details['Nlayers'] = ['', None, None]
self.details['spacing'] = ['[A]', None, None]
self.details['pd_spacing'] = ['', None, None]
self.details['sld_layer'] = ['[1/A^(2)]', None, None]
self.details['sld_solvent'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed = ['thickness.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
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, 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, 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, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CMassFractalModel.__init__, (self,))
CMassFractalModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "MassFractalModel"
## Model description
self.description = """
The scattering intensity I(x) = scale*P(x)*S(x) + background, where
scale = scale_factor * V * delta^(2)
p(x)= F(x*radius)^(2)
F(x) = 3*[sin(x)-x cos(x)]/x**3
S(x) = [(gamma(Dm-1)*colength^(Dm-1)*[1+(x^2*colength^2)]^((1-Dm)/2)
* sin[(Dm-1)*arctan(x*colength)])/x]
where delta = sldParticle -sldSolv.
radius = Particle radius
mass_dim = Mass fractal dimension
co_length = Cut-off length
background = background
Ref.:Mildner, Hall,J Phys D Appl Phys(1986), 9, 1535-1545
Note I: This model is valid for 1<mass_dim<6.
Note II: This model is not in absolute scale.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['radius'] = ['[A]', None, None]
self.details['mass_dim'] = ['', None, None]
self.details['co_length'] = ['[A]', None, None]
self.details['background'] = ['', None, None]
## fittable parameters
self.fixed = []
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CMassSurfaceFractal.__init__, (self,))
CMassSurfaceFractal.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "MassSurfaceFractal"
## Model description
self.description = """
The scattering intensity I(x) = scale*P(x) + background,
p(x)= {[1+(x^2*a)]^(Dm/2) * [1+(x^2*b)]^(6-Ds-Dm)/2}^(-1)
a = Rg^2/(3*Dm/2)
b = rg^2/(3*(6-Ds-Dm)/2)
scale = scale factor * N*Volume^2*contrast^2
mass_dim = Dm (mass fractal dimension)
surface_dim = Ds
cluster_rg = Rg
primary_rg = rg
background = background
Ref: Schmidt, J Appl Cryst, eq(19), (1991), 24, 414-435
: Hurd, Schaefer, Martin, Phys Rev A, eq(2),(1987),35, 2361-2364
Note that 0 < Ds< 6 and 0 < Dm < 6.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['mass_dim'] = ['', None, None]
self.details['surface_dim'] = ['', None, None]
self.details['cluster_rg'] = ['[A]', None, None]
self.details['primary_rg'] = ['[A]', None, None]
self.details['background'] = ['', None, None]
## fittable parameters
self.fixed = []
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
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, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CMultiShellModel.__init__, (self,))
CMultiShellModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "MultiShellModel"
## Model description
self.description = """
MultiShell (Sphere) Model (or Multilamellar Vesicles): Model parameters;
scale : scale factor
core_radius : Core radius of the multishell
s_thickness: shell thickness
w_thickness: water thickness
core_sld: core scattering length density
shell_sld: shell scattering length density
n_pairs:number of pairs of water/shell
background: incoherent background
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['core_radius'] = ['[A]', None, None]
self.details['s_thickness'] = ['[A]', None, None]
self.details['w_thickness'] = ['[A]', None, None]
self.details['core_sld'] = ['[1/A^(2)]', None, None]
self.details['shell_sld'] = ['[1/A^(2)]', None, None]
self.details['n_pairs'] = ['', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed = ['core_radius.width',
's_thickness.width',
'w_thickness.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CMassSurfaceFractal.__init__, (self,))
CMassSurfaceFractal.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "MassSurfaceFractal"
## Model description
self.description = """
The scattering intensity I(x) = scale*P(x) + background,
p(x)= {[1+(x^2*a)]^(Dm/2) * [1+(x^2*b)]^(6-Ds-Dm)/2}^(-1)
a = Rg^2/(3*Dm/2)
b = rg^2/(3*(6-Ds-Dm)/2)
scale = scale factor * N*Volume^2*contrast^2
mass_dim = Dm (mass fractal dimension)
surface_dim = Ds
cluster_rg = Rg
primary_rg = rg
background = background
Ref: Schmidt, J Appl Cryst, eq(19), (1991), 24, 414-435
: Hurd, Schaefer, Martin, Phys Rev A, eq(2),(1987),35, 2361-2364
Note that 0 < Ds< 6 and 0 < Dm < 6.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['mass_dim'] = ['', None, None]
self.details['surface_dim'] = ['', None, None]
self.details['cluster_rg'] = ['[A]', None, None]
self.details['primary_rg'] = ['[A]', None, None]
self.details['background'] = ['', None, None]
## fittable parameters
self.fixed = []
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CFractalModel.__init__, (self,))
CFractalModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "FractalModel"
## Model description
self.description = """
The scattering intensity I(x) = P(|x|)*S(|x|) + background, where
p(x)= scale * V * delta^(2)* F(x*radius)^(2)
F(x) = 3*[sin(x)-x cos(x)]/x**3
where delta = sldBlock -sldSolv.
scale = scale factor * Volume fraction
radius = Block radius
fractal_dim = Fractal dimension
cor_length = Correlation Length
sldBlock = SDL block
sldSolv = SDL solvent
background = background
"""
## Parameter details [units, min, max]
self.details = {}
self.details['radius'] = ['[A]', None, None]
self.details['scale'] = ['', None, None]
self.details['fractal_dim'] = ['', None, None]
self.details['cor_length'] = ['[A]', None, None]
self.details['sldBlock'] = ['[1/A^(2)]', None, None]
self.details['sldSolv'] = ['[1/A^(2)]', 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 = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CFractalModel.__init__, (self,))
CFractalModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "FractalModel"
## Model description
self.description = """
The scattering intensity I(x) = P(|x|)*S(|x|) + background, where
p(x)= scale * V * delta^(2)* F(x*radius)^(2)
F(x) = 3*[sin(x)-x cos(x)]/x**3
where delta = sldBlock -sldSolv.
scale = scale factor * Volume fraction
radius = Block radius
fractal_dim = Fractal dimension
cor_length = Correlation Length
sldBlock = SDL block
sldSolv = SDL solvent
background = background
"""
## Parameter details [units, min, max]
self.details = {}
self.details['radius'] = ['[A]', None, None]
self.details['scale'] = ['', None, None]
self.details['fractal_dim'] = ['', None, None]
self.details['cor_length'] = ['[A]', None, None]
self.details['sldBlock'] = ['[1/A^(2)]', None, None]
self.details['sldSolv'] = ['[1/A^(2)]', 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 = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
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, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CBinaryHSModel.__init__, (self,))
CBinaryHSModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "BinaryHSModel"
## Model description
self.description = """
Model parameters: l_radius : large radius of binary hard sphere
s_radius : small radius of binary hard sphere
vol_frac_ls : volume fraction of large spheres
vol_frac_ss : volume fraction of small spheres
ls_sld: large sphere scattering length density
ss_sld: small sphere scattering length density
solvent_sld: solvent scattering length density
background: incoherent background
"""
## Parameter details [units, min, max]
self.details = {}
self.details['l_radius'] = ['[A]', None, None]
self.details['s_radius'] = ['[A]', None, None]
self.details['vol_frac_ls'] = ['', None, None]
self.details['vol_frac_ss'] = ['', None, None]
self.details['ls_sld'] = ['[1/A^(2)]', None, None]
self.details['ss_sld'] = ['[1/A^(2)]', None, None]
self.details['solvent_sld'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
## fittable parameters
self.fixed = ['l_radius.width',
's_radius.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CFuzzySphereModel.__init__, (self,))
CFuzzySphereModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "FuzzySphereModel"
## Model description
self.description = """
scale: scale factor times volume fraction,
or just volume fraction for absolute scale data
radius: radius of the solid sphere
fuzziness = the STD of the height of fuzzy interfacial
thickness (ie., so-called interfacial roughness)
sldSph: the SLD of the sphere
sldSolv: the SLD of the solvent
background: incoherent background
Note: By definition, this function works only when fuzziness << radius.
"""
## Parameter details [units, min, max]
self.details = {}
self.details['radius'] = ['[A]', None, None]
self.details['scale'] = ['', None, None]
self.details['fuzziness'] = ['[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]
## fittable parameters
self.fixed = ['radius.width',
'fuzziness.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = []
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
