source: sasview/sansmodels/src/sans/models/FCCrystalModel.py @ 5f43ff9

#!/usr/bin/env python

##############################################################################
#       This software was developed by the University of Tennessee as part of the
#       Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
#       project funded by the US National Science Foundation.
#
#       If you use DANSE applications to do scientific research that leads to
#       publication, we ask that you acknowledge the use of the software with the
#       following sentence:
#
#       "This work benefited from DANSE software developed under NSF award DMR-0520547."
#
#       copyright 2008, University of Tennessee
##############################################################################


""" 
Provide functionality for a C extension model

:WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY
         DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\fcc.h
         AND RE-RUN THE GENERATOR SCRIPT

"""

from sans.models.BaseComponent import BaseComponent
from sans_extension.c_models import CFCCrystalModel
import copy    

def create_FCCrystalModel():
    obj = FCCrystalModel()
    #CFCCrystalModel.__init__(obj) is called by FCCrystalModel constructor
    return obj

class FCCrystalModel(CFCCrystalModel, BaseComponent):
    """ 
    Class that evaluates a FCCrystalModel model. 
    This file was auto-generated from ..\c_extensions\fcc.h.
    Refer to that file and the structure it contains
    for details of the model.
    List of default parameters:
         scale           = 1.0 
         dnn             = 220.0 [A]
         d_factor        = 0.06 
         radius          = 40.0 [A]
         sldSph          = 3e-006 [1/A^(2)]
         sldSolv         = 6.3e-006 [1/A^(2)]
         background      = 0.0 [1/cm]
         theta           = 0.0 [deg]
         phi             = 0.0 [deg]
         psi             = 0.0 [deg]

    """
        
    def __init__(self):
        """ Initialization """
        
        # Initialize BaseComponent first, then sphere
        BaseComponent.__init__(self)
        #apply(CFCCrystalModel.__init__, (self,)) 
        CFCCrystalModel.__init__(self)
        
        ## Name of the model
        self.name = "FCCrystalModel"
        ## 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.
                [Face 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 __setstate__(self, state):
        """
        restore the state of a model from pickle
        """
        self.__dict__, self.params, self.dispersion = state
        
    def __reduce_ex__(self, proto):
        """
        Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of 
        c model.
        """
        state = (self.__dict__, self.params, self.dispersion)
        return (create_FCCrystalModel,tuple(), state, None, None)
        
    def clone(self):
        """ Return a identical copy of self """
        return self._clone(FCCrystalModel())   
        
   
    def run(self, x=0.0):
        """ 
        Evaluate the model
        
        :param x: input q, or [q,phi]
        
        :return: scattering function P(q)
        
        """
        
        return CFCCrystalModel.run(self, x)
   
    def runXY(self, x=0.0):
        """ 
        Evaluate the model in cartesian coordinates
        
        :param x: input q, or [qx, qy]
        
        :return: scattering function P(q)
        
        """
        
        return CFCCrystalModel.runXY(self, x)
        
    def evalDistribution(self, x=[]):
        """ 
        Evaluate the model in cartesian coordinates
        
        :param x: input q[], or [qx[], qy[]]
        
        :return: scattering function P(q[])
        
        """
        return CFCCrystalModel.evalDistribution(self, x)
        
    def calculate_ER(self):
        """ 
        Calculate the effective radius for P(q)*S(q)
        
        :return: the value of the effective radius
        
        """       
        return CFCCrystalModel.calculate_ER(self)
        
    def set_dispersion(self, parameter, dispersion):
        """
        Set the dispersion object for a model parameter
        
        :param parameter: name of the parameter [string]
        :param dispersion: dispersion object of type DispersionModel
        
        """
        return CFCCrystalModel.set_dispersion(self, parameter, dispersion.cdisp)
        
   
# End of file