def __init__(self, name_or_function, **kwargs):
"""
Initialise new instance.
@param name: A valid name registered with the FunctionFactory.
@param kwargs: Parameters (but not attributes) of this function. To set attributes use `attr` property.
Example:
f = Function('TabulatedFunction', Scaling=2.0)
f.attr['Workspace'] = 'workspace_with_data'
"""
from mantid.simpleapi import FunctionFactory
if isinstance(name_or_function, str):
self.function = FunctionFactory.createFunction(name_or_function)
else:
self.function = name_or_function
if 'prefix' in kwargs:
self.prefix = kwargs['prefix']
del kwargs['prefix']
else:
self.prefix = ''
# Function attributes.
self._attrib = FunctionAttributes(self.function, self.prefix)
# Function parameters.
self._params = FunctionParameters(self.function, self.prefix)
# The rest of kw arguments are treated as function parameters
for param in kwargs:
self._params[param] = kwargs[param]
def test_constraints_single_spectrum(self):
from mantid.simpleapi import Gaussian, LinearBackground, FunctionFactory
cf = CrystalFieldMultiSite(Ions=['Ce'], Symmetries=['C2v'], Temperatures=[50], FWHM=[0.9],
B20=0.37737, B22=3.9770, B40=-0.031787, B42=-0.11611, B44=-0.12544,
Background=LinearBackground(A0=1.0), BackgroundPeak=Gaussian(Height=10, Sigma=0.3))
cf.ties(B40='B20/2')
cf.constraints('IntensityScaling > 0', 'B22 < 4')
cf.constraints('pk0.FWHM < 2.2', 'pk1.FWHM >= 0.1')
cf.ties({'pk2.FWHM': '2*pk1.FWHM', 'pk3.FWHM': '2*pk2.FWHM'})
cf.background.peak.ties(Height=10.1)
cf.background.peak.constraints('Sigma > 0')
cf.background.background.ties(A0=0.1)
cf.background.background.constraints('A1 > 0')
s = cf.makeSpectrumFunction()
self.assertTrue('0<IntensityScaling' in s)
self.assertTrue('B22<4' in s)
self.assertTrue('0<bg.f0.Sigma' in s)
self.assertTrue('0<bg.f1.A1' in s)
self.assertTrue('Height=10.1' in s)
self.assertTrue('A0=0.1' in s)
self.assertTrue('pk0.FWHM<2.2' in s)
self.assertTrue('0.1<pk1.FWHM' in s)
self.assertTrue('pk2.FWHM=2*pk1.FWHM' in s)
self.assertTrue('pk3.FWHM=2*pk2.FWHM' in s)
# Test that ties and constraints are correctly defined
fun = FunctionFactory.createInitialized(s)
self.assertTrue(fun is not None)
def test_constraints_single_spectrum(self):
from mantid.fitfunctions import Gaussian, LinearBackground
from mantid.simpleapi import FunctionFactory
cf = CrystalFieldMultiSite(Ions=['Ce'], Symmetries=['C2v'], Temperatures=[50], FWHM=[0.9],
B20=0.37737, B22=3.9770, B40=-0.031787, B42=-0.11611, B44=-0.12544,
Background=LinearBackground(A0=1.0), BackgroundPeak=Gaussian(Height=10, Sigma=0.3))
cf.ties(B40='B20/2')
cf.constraints('IntensityScaling > 0', 'B22 < 4')
cf.constraints('pk0.FWHM < 2.2', 'pk1.FWHM >= 0.1')
cf.ties({'pk2.FWHM': '2*pk1.FWHM', 'pk3.FWHM': '2*pk2.FWHM'})
cf.background.peak.ties(Height=10.1)
cf.background.peak.constraints('Sigma > 0')
cf.background.background.ties(A0=0.1)
cf.background.background.constraints('A1 > 0')
s = cf.makeSpectrumFunction()
self.assertTrue('0<IntensityScaling' in s)
self.assertTrue('B22<4' in s)
self.assertTrue('0<bg.f0.Sigma' in s)
self.assertTrue('0<bg.f1.A1' in s)
self.assertTrue('Height=10.1' in s)
self.assertTrue('A0=0.1' in s)
self.assertTrue('pk0.FWHM<2.2' in s)
self.assertTrue('0.1<pk1.FWHM' in s)
self.assertTrue('pk2.FWHM=2*pk1.FWHM' in s)
self.assertTrue('pk3.FWHM=2*pk2.FWHM' in s)
# Test that ties and constraints are correctly defined
fun = FunctionFactory.createInitialized(s)
self.assertTrue(fun is not None)
def __init__(self, name_or_function, **kwargs):
"""
Initialise new instance.
@param name: A valid name registered with the FunctionFactory.
@param kwargs: Parameters (but not attributes) of this function. To set attributes use `attr` property.
Example:
f = Function('TabulatedFunction', Scaling=2.0)
f.attr['Workspace'] = 'workspace_with_data'
"""
from mantid.simpleapi import FunctionFactory
if isinstance(name_or_function, str):
self.function = FunctionFactory.createFunction(name_or_function)
else:
self.function = name_or_function
if 'prefix' in kwargs:
self.prefix = kwargs['prefix']
del kwargs['prefix']
else:
self.prefix = ''
# Function attributes.
self._attrib = FunctionAttributes(self.function, self.prefix)
# Function parameters.
self._params = FunctionParameters(self.function, self.prefix)
# The rest of kw arguments are treated as function parameters
for param in kwargs:
self._params[param] = kwargs[param]
def test_new_function_init(self):
class BFunction(IFunction1D):
def __init__(self):
super(BFunction, self).__init__()
def init(self):
self.declareParameter("C", 0.0)
def function1D(self, xvals):
c = self.getParameterValue("C")
return c * xvals
FunctionFactory.subscribe(BFunction)
fun = BFunction()
self.assertEqual(str(fun), 'name=BFunction,C=0')
fun.C = 2
self.assertEqual(fun(2), 4)
fun = BFunction(C=3)
self.assertEqual(fun.C, 3)
self.assertEqual(fun(2), 6)
def test_new_function(self):
class AFunction(IFunction1D):
def init(self):
self.declareParameter("C", 0.0)
def function1D(self, xvals):
c = self.getParameterValue("C")
return c * xvals
FunctionFactory.subscribe(AFunction)
fun = AFunction()
self.assertEqual(str(fun), 'name=AFunction,C=0')
fun.C = 2
self.assertEqual(fun(2), 4)
fun = AFunction(C=3)
self.assertEqual(fun.C, 3)
self.assertEqual(fun(2), 6)
self.assertTrue((fun([2, 3, 4]) == np.array([6, 9, 12])).all())
self.assertTrue((fun(np.array([2, 3, 4])) == np.array([6, 9, 12])).all())
def test_new_function_init(self):
class BFunction(IFunction1D):
def __init__(self):
super(BFunction, self).__init__()
def init(self):
self.declareParameter("C", 0.0)
def function1D(self, xvals):
c = self.getParameterValue("C")
return c * xvals
FunctionFactory.subscribe(BFunction)
fun = BFunction()
self.assertEqual(str(fun), 'name=BFunction,C=0')
fun.C = 2
self.assertEqual(fun(2), 4)
fun = BFunction(C=3)
self.assertEqual(fun.C, 3)
self.assertEqual(fun(2), 6)
def test_new_function(self):
class AFunction(IFunction1D):
def init(self):
self.declareParameter("C", 0.0)
def function1D(self, xvals):
c = self.getParameterValue("C")
return c * xvals
FunctionFactory.subscribe(AFunction)
fun = AFunction()
self.assertEqual(str(fun), 'name=AFunction,C=0')
fun.C = 2
self.assertEqual(fun(2), 4)
fun = AFunction(C=3)
self.assertEqual(fun.C, 3)
self.assertEqual(fun(2), 6)
self.assertTrue((fun([2, 3, 4]) == np.array([6, 9, 12])).all())
self.assertTrue((fun(np.array([2, 3, 4])) == np.array([6, 9, 12])).all())
def _makeFunction(self):
from mantid.simpleapi import FunctionFactory
self.function = FunctionFactory.createFunction('CrystalFieldFunction')
def _makeFunction(self):
from mantid.simpleapi import FunctionFactory
self.function = FunctionFactory.createFunction('CrystalFieldFunction')
def _makeFunction(self):
self.function = FunctionFactory.createFunction('CrystalFieldFunction')