RPAModel.py @ 2c63e80e

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since 2c63e80e was 92df66f8, checked in by Gervaise Alina <gervyh@…>, 13 years ago
commit wrap model
Property mode set to `100644`
File size: 7.3 KB

Rev	Line
[35aface]	1	#!/usr/bin/env python
	2
	3	##############################################################################
	4	# This software was developed by the University of Tennessee as part of the
	5	# Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
	6	# project funded by the US National Science Foundation.
	7	#
	8	# If you use DANSE applications to do scientific research that leads to
	9	# publication, we ask that you acknowledge the use of the software with the
	10	# following sentence:
	11	#
	12	# "This work benefited from DANSE software developed under NSF award DMR-0520547."
	13	#
	14	# copyright 2008, University of Tennessee
	15	##############################################################################
	16
	17
	18	"""
	19	Provide functionality for a C extension model
	20
	21	:WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY
	22	DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\rpa.h
	23	AND RE-RUN THE GENERATOR SCRIPT
	24
	25	"""
	26
	27	from sans.models.BaseComponent import BaseComponent
[92df66f8]	28	from sans.models.sans_extension.c_models import CRPAModel
[35aface]	29	import copy
[96656e3]	30
	31	def create_RPAModel():
	32	obj = RPAModel()
	33	#CRPAModel.__init__(obj) is called by RPAModel constructor
	34	return obj
	35
[35aface]	36	class RPAModel(CRPAModel, BaseComponent):
	37	"""
	38	Class that evaluates a RPAModel model.
	39	This file was auto-generated from ..\c_extensions\rpa.h.
	40	Refer to that file and the structure it contains
	41	for details of the model.
	42	List of default parameters:
	43	lcase_n = 0.0
	44	ba = 5.0
	45	bb = 5.0
	46	bc = 5.0
	47	bd = 5.0
	48	Kab = -0.0004
	49	Kac = -0.0004
	50	Kad = -0.0004
	51	Kbc = -0.0004
	52	Kbd = -0.0004
	53	Kcd = -0.0004
	54	scale = 1.0
	55	background = 0.0 [1/cm]
	56	Na = 1000.0
	57	Phia = 0.25
	58	va = 100.0
[92df66f8]	59	La = 1e-12
[35aface]	60	Nb = 1000.0
	61	Phib = 0.25
	62	vb = 100.0
[92df66f8]	63	Lb = 1e-12
[35aface]	64	Nc = 1000.0
	65	Phic = 0.25
	66	vc = 100.0
[92df66f8]	67	Lc = 1e-12
[35aface]	68	Nd = 1000.0
	69	Phid = 0.25
	70	vd = 100.0
	71	Ld = 0.0
	72
	73	"""
	74
	75	def __init__(self):
	76	""" Initialization """
	77
	78	# Initialize BaseComponent first, then sphere
	79	BaseComponent.__init__(self)
[96656e3]	80	#apply(CRPAModel.__init__, (self,))
[35aface]	81	CRPAModel.__init__(self)
	82
	83	## Name of the model
	84	self.name = "RPAModel"
	85	## Model description
	86	self.description =""" THIS FORMALISM APPLIES TO MULTICOMPONENT POLYMER MIXTURES IN THE
	87	HOMOGENEOUS (MIXED) PHASE REGION ONLY.;
	88	CASE 0: C/D BINARY MIXTURE OF HOMOPOLYMERS
	89	CASE 1: C-D DIBLOCK COPOLYMER
	90	CASE 2: B/C/D TERNARY MIXTURE OF HOMOPOLYMERS
	91	CASE 3: B/C-D MIXTURE OF HOMOPOLYMER B AND
	92	DIBLOCK COPOLYMER C-D
	93	CASE 4: B-C-D TRIBLOCK COPOLYMER
	94	CASE 5: A/B/C/D QUATERNARY MIXTURE OF HOMOPOLYMERS
	95	CASE 6: A/B/C-D MIXTURE OF TWO HOMOPOLYMERS A/B
	96	AND A DIBLOCK C-D
	97	CASE 7: A/B-C-D MIXTURE OF A HOMOPOLYMER A AND A
	98	TRIBLOCK B-C-D
	99	CASE 8: A-B/C-D MIXTURE OF TWO DIBLOCK COPOLYMERS
	100	A-B AND C-D
	101	CASE 9: A-B-C-D FOUR-BLOCK COPOLYMER
	102	See details in the model function help"""
	103
	104	## Parameter details [units, min, max]
	105	self.details = {}
	106	self.details['lcase_n'] = ['', None, None]
	107	self.details['ba'] = ['', None, None]
	108	self.details['bb'] = ['', None, None]
	109	self.details['bc'] = ['', None, None]
	110	self.details['bd'] = ['', None, None]
	111	self.details['Kab'] = ['', None, None]
	112	self.details['Kac'] = ['', None, None]
	113	self.details['Kad'] = ['', None, None]
	114	self.details['Kbc'] = ['', None, None]
	115	self.details['Kbd'] = ['', None, None]
	116	self.details['Kcd'] = ['', None, None]
	117	self.details['scale'] = ['', None, None]
	118	self.details['background'] = ['[1/cm]', None, None]
	119	self.details['Na'] = ['', None, None]
	120	self.details['Phia'] = ['', None, None]
	121	self.details['va'] = ['', None, None]
	122	self.details['La'] = ['', None, None]
	123	self.details['Nb'] = ['', None, None]
	124	self.details['Phib'] = ['', None, None]
	125	self.details['vb'] = ['', None, None]
	126	self.details['Lb'] = ['', None, None]
	127	self.details['Nc'] = ['', None, None]
	128	self.details['Phic'] = ['', None, None]
	129	self.details['vc'] = ['', None, None]
	130	self.details['Lc'] = ['', None, None]
	131	self.details['Nd'] = ['', None, None]
	132	self.details['Phid'] = ['', None, None]
	133	self.details['vd'] = ['', None, None]
	134	self.details['Ld'] = ['', None, None]
	135
	136	## fittable parameters
	137	self.fixed=[]
	138
	139	## non-fittable parameters
[96656e3]	140	self.non_fittable = ['lcase_n', 'Na', 'Phia', 'va', 'La', 'Nb', 'Phib', 'vb', 'Lb', 'Nc', 'Phic', 'vc', 'Lc', 'Nd', 'Phid', 'vd', 'Ld']
[35aface]	141
	142	## parameters with orientation
[96656e3]	143	self.orientation_params = []
[c7a7e1b]	144
	145	def __setstate__(self, state):
	146	"""
	147	restore the state of a model from pickle
	148	"""
	149	self.__dict__, self.params, self.dispersion = state
	150
[96656e3]	151	def __reduce_ex__(self, proto):
[35aface]	152	"""
[96656e3]	153	Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of
	154	c model.
[35aface]	155	"""
[c7a7e1b]	156	state = (self.__dict__, self.params, self.dispersion)
	157	return (create_RPAModel,tuple(), state, None, None)
[35aface]	158
[96656e3]	159	def clone(self):
	160	""" Return a identical copy of self """
	161	return self._clone(RPAModel())
[35aface]	162
	163
	164	def run(self, x=0.0):
	165	"""
	166	Evaluate the model
	167
	168	:param x: input q, or [q,phi]
	169
	170	:return: scattering function P(q)
	171
	172	"""
	173
	174	return CRPAModel.run(self, x)
	175
	176	def runXY(self, x=0.0):
	177	"""
	178	Evaluate the model in cartesian coordinates
	179
	180	:param x: input q, or [qx, qy]
	181
	182	:return: scattering function P(q)
	183
	184	"""
	185
	186	return CRPAModel.runXY(self, x)
	187
	188	def evalDistribution(self, x=[]):
	189	"""
	190	Evaluate the model in cartesian coordinates
	191
	192	:param x: input q[], or [qx[], qy[]]
	193
	194	:return: scattering function P(q[])
	195
	196	"""
	197	return CRPAModel.evalDistribution(self, x)
	198
	199	def calculate_ER(self):
	200	"""
	201	Calculate the effective radius for P(q)*S(q)
	202
	203	:return: the value of the effective radius
	204
	205	"""
	206	return CRPAModel.calculate_ER(self)
	207
	208	def set_dispersion(self, parameter, dispersion):
	209	"""
	210	Set the dispersion object for a model parameter
	211
	212	:param parameter: name of the parameter [string]
	213	:param dispersion: dispersion object of type DispersionModel
	214
	215	"""
	216	return CRPAModel.set_dispersion(self, parameter, dispersion.cdisp)
	217
	218
	219	# End of file

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source: sasview/sansmodels/src/sans/models/RPAModel.py @ 2c63e80e

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