#!/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.models.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-06 [1/A^(2)] sldSolv = 6.3e-06 [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