def testGenerator2(self):
# Test generator with a profile
EllipsoidModel = sasimport('sas.models.EllipsoidModel').EllipsoidModel
model = EllipsoidModel()
gen = SASGenerator("ellipsoid", model)
# Load the data using SAS tools
Loader = sasimport('sas.dataloader.loader').Loader
loader = Loader()
data = datafile("sas_ellipsoid_testdata.txt")
datainfo = loader.load(data)
profile = SASProfile(datainfo)
gen.setProfile(profile)
gen.scale.value = 1.0
gen.radius_a.value = 20
gen.radius_b.value = 400
gen.background.value = 0.01
y = gen(profile.xobs)
diff = profile.yobs - y
res = numpy.dot(diff, diff)
self.assertAlmostEqual(0, res)
return
def testGenerator2(self):
# Test generator with a profile
EllipsoidModel = sasimport('sas.models.EllipsoidModel').EllipsoidModel
model = EllipsoidModel()
gen = SASGenerator("ellipsoid", model)
# Load the data using SAS tools
Loader = sasimport('sas.dataloader.loader').Loader
loader = Loader()
data = datafile("sas_ellipsoid_testdata.txt")
datainfo = loader.load(data)
profile = SASProfile(datainfo)
gen.setProfile(profile)
gen.scale.value = 1.0
gen.radius_a.value = 20
gen.radius_b.value = 400
gen.background.value = 0.01
y = gen(profile.xobs)
diff = profile.yobs - y
res = numpy.dot(diff, diff)
self.assertAlmostEqual(0, res)
return
def testGenerator(self):
# Test generator output
SphereModel = sasimport('sas.models.SphereModel').SphereModel
model = SphereModel()
gen = SASGenerator("sphere", model)
for pname in model.params:
defval = model.getParam(pname)
par = gen.get(pname)
self.assertEqual(defval, par.getValue())
# Test setting values
par.setValue(1.0)
self.assertEqual(1.0, par.getValue())
self.assertEqual(1.0, model.getParam(pname))
par.setValue(defval)
self.assertEqual(defval, par.getValue())
self.assertEqual(defval, model.getParam(pname))
r = numpy.arange(1, 10, 0.1, dtype=float)
y = gen(r)
refy = model.evalDistribution(r)
diff = y - refy
res = numpy.dot(diff, diff)
self.assertAlmostEqual(0, res)
return
def testGenerator(self):
# Test generator output
SphereModel = sasimport('sas.models.SphereModel').SphereModel
model = SphereModel()
gen = SASGenerator("sphere", model)
for pname in model.params:
defval = model.getParam(pname)
par = gen.get(pname)
self.assertEquals(defval, par.getValue())
# Test setting values
par.setValue(1.0)
self.assertEquals(1.0, par.getValue())
self.assertEquals(1.0, model.getParam(pname))
par.setValue(defval)
self.assertEquals(defval, par.getValue())
self.assertEquals(defval, model.getParam(pname))
r = numpy.arange(1, 10, 0.1, dtype = float)
y = gen(r)
refy = model.evalDistribution(r)
diff = y - refy
res = numpy.dot(diff, diff)
self.assertAlmostEqual(0, res)
return
def testCylinder(self):
"""Make sure cylinder works over different r-ranges"""
radius = 100
length = 30
CylinderModel = sasimport('sas.models.CylinderModel').CylinderModel
model = CylinderModel()
model.setParam("radius", radius)
model.setParam("length", length)
ff = cf.SASCF("cylinder", model)
r1 = numpy.arange(0, 10, 0.1, dtype=float)
r2 = numpy.arange(0, 50, 0.1, dtype=float)
r3 = numpy.arange(0, 100, 0.1, dtype=float)
r4 = numpy.arange(0, 500, 0.1, dtype=float)
fr1 = ff(r1)
fr2 = ff(r2)
fr3 = ff(r3)
fr4 = ff(r4)
d = fr1 - numpy.interp(r1, r2, fr2)
res12 = numpy.dot(d, d)
res12 /= numpy.dot(fr1, fr1)
self.assertAlmostEqual(0, res12, 4)
d = fr1 - numpy.interp(r1, r3, fr3)
res13 = numpy.dot(d, d)
res13 /= numpy.dot(fr1, fr1)
self.assertAlmostEqual(0, res13, 4)
d = fr1 - numpy.interp(r1, r4, fr4)
res14 = numpy.dot(d, d)
res14 /= numpy.dot(fr1, fr1)
self.assertAlmostEqual(0, res14, 4)
d = fr2 - numpy.interp(r2, r3, fr3)
res23 = numpy.dot(d, d)
res23 /= numpy.dot(fr2, fr2)
self.assertAlmostEqual(0, res23, 4)
d = fr2 - numpy.interp(r2, r4, fr4)
res24 = numpy.dot(d, d)
res24 /= numpy.dot(fr2, fr2)
self.assertAlmostEqual(0, res24, 4)
d = fr3 - numpy.interp(r3, r4, fr4)
res34 = numpy.dot(d, d)
res34 /= numpy.dot(fr3, fr3)
self.assertAlmostEqual(0, res34, 4)
return
def testCylinder(self):
"""Make sure cylinder works over different r-ranges"""
radius = 100
length = 30
CylinderModel = sasimport('sas.models.CylinderModel').CylinderModel
model = CylinderModel()
model.setParam("radius", radius)
model.setParam("length", length)
ff = cf.SASCF("cylinder", model)
r1 = numpy.arange(0, 10, 0.1, dtype = float)
r2 = numpy.arange(0, 50, 0.1, dtype = float)
r3 = numpy.arange(0, 100, 0.1, dtype = float)
r4 = numpy.arange(0, 500, 0.1, dtype = float)
fr1 = ff(r1)
fr2 = ff(r2)
fr3 = ff(r3)
fr4 = ff(r4)
d = fr1 - numpy.interp(r1, r2, fr2)
res12 = numpy.dot(d,d)
res12 /= numpy.dot(fr1, fr1)
self.assertAlmostEqual(0, res12, 4)
d = fr1 - numpy.interp(r1, r3, fr3)
res13 = numpy.dot(d,d)
res13 /= numpy.dot(fr1, fr1)
self.assertAlmostEqual(0, res13, 4)
d = fr1 - numpy.interp(r1, r4, fr4)
res14 = numpy.dot(d,d)
res14 /= numpy.dot(fr1, fr1)
self.assertAlmostEqual(0, res14, 4)
d = fr2 - numpy.interp(r2, r3, fr3)
res23 = numpy.dot(d,d)
res23 /= numpy.dot(fr2, fr2)
self.assertAlmostEqual(0, res23, 4)
d = fr2 - numpy.interp(r2, r4, fr4)
res24 = numpy.dot(d,d)
res24 /= numpy.dot(fr2, fr2)
self.assertAlmostEqual(0, res24, 4)
d = fr3 - numpy.interp(r3, r4, fr4)
res34 = numpy.dot(d,d)
res34 /= numpy.dot(fr3, fr3)
self.assertAlmostEqual(0, res34, 4)
return
def testSphere(self):
radius = 25
# Calculate sphere cf from SphereModel
SphereModel = sasimport('sas.models.SphereModel').SphereModel
model = SphereModel()
model.setParam("radius", radius)
ff = cf.SASCF("sphere", model)
r = numpy.arange(1, 60, 0.1, dtype=float)
fr1 = ff(r)
# Calculate sphere cf analytically
fr2 = cf.sphericalCF(r, 2 * radius)
diff = fr1 - fr2
res = numpy.dot(diff, diff)
res /= numpy.dot(fr2, fr2)
self.assertAlmostEqual(0, res, 4)
return
def testSphere(self):
radius = 25
# Calculate sphere cf from SphereModel
SphereModel = sasimport('sas.models.SphereModel').SphereModel
model = SphereModel()
model.setParam("radius", radius)
ff = cf.SASCF("sphere", model)
r = numpy.arange(1, 60, 0.1, dtype = float)
fr1 = ff(r)
# Calculate sphere cf analytically
fr2 = cf.sphericalCF(r, 2*radius)
diff = fr1 - fr2
res = numpy.dot(diff, diff)
res /= numpy.dot(fr2, fr2)
self.assertAlmostEqual(0, res, 4)
return
def testShell(self):
radius = 19.2
thickness = 7.8
# Calculate cf from VesicleModel
VesicleModel = sasimport('sas.models.VesicleModel').VesicleModel
model = VesicleModel()
model.setParam("radius", radius)
model.setParam("thickness", thickness)
ff = cf.SASCF("vesicle", model)
r = numpy.arange(0, 99.45, 0.1, dtype=float)
fr1 = ff(r)
# Calculate sphere cf analytically
fr2 = cf.shellCF(r, radius, thickness)
diff = fr1 - fr2
res = numpy.dot(diff, diff)
res /= numpy.dot(fr2, fr2)
self.assertAlmostEqual(0, res, 4)
return
def testSpheroid(self):
prad = 20.9
erad = 33.114
# Calculate cf from EllipsoidModel
EllipsoidModel = sasimport('sas.models.EllipsoidModel').EllipsoidModel
model = EllipsoidModel()
model.setParam("radius_a", prad)
model.setParam("radius_b", erad)
ff = cf.SASCF("spheroid", model)
r = numpy.arange(0, 100, 1 / numpy.pi, dtype=float)
fr1 = ff(r)
# Calculate cf analytically
fr2 = cf.spheroidalCF(r, erad, prad)
diff = fr1 - fr2
res = numpy.dot(diff, diff)
res /= numpy.dot(fr2, fr2)
self.assertAlmostEqual(0, res, 4)
return
def testShell(self):
radius = 19.2
thickness = 7.8
# Calculate cf from VesicleModel
VesicleModel = sasimport('sas.models.VesicleModel').VesicleModel
model = VesicleModel()
model.setParam("radius", radius)
model.setParam("thickness", thickness)
ff = cf.SASCF("vesicle", model)
r = numpy.arange(0, 99.45, 0.1, dtype = float)
fr1 = ff(r)
# Calculate sphere cf analytically
fr2 = cf.shellCF(r, radius, thickness)
diff = fr1 - fr2
res = numpy.dot(diff, diff)
res /= numpy.dot(fr2, fr2)
self.assertAlmostEqual(0, res, 4)
return
def testSpheroid(self):
prad = 20.9
erad = 33.114
# Calculate cf from EllipsoidModel
EllipsoidModel = sasimport('sas.models.EllipsoidModel').EllipsoidModel
model = EllipsoidModel()
model.setParam("radius_a", prad)
model.setParam("radius_b", erad)
ff = cf.SASCF("spheroid", model)
r = numpy.arange(0, 100, 1/numpy.pi, dtype = float)
fr1 = ff(r)
# Calculate cf analytically
fr2 = cf.spheroidalCF(r, erad, prad)
diff = fr1 - fr2
res = numpy.dot(diff, diff)
res /= numpy.dot(fr2, fr2)
self.assertAlmostEqual(0, res, 4)
return
def parseFile(self, filename):
"""Parse a file and set the _x, _y, _dx, _dy and _meta variables.
This wipes out the currently loaded data and selected bank number.
Arguments
filename -- The name of the file to parse
Raises IOError if the file cannot be read
Raises ParseError if the file cannot be parsed
"""
Loader = sasimport('sas.dataloader.loader').Loader
loader = Loader()
try:
data = loader.load(filename)
except (RuntimeError, ValueError), e:
raise ParseError(e)
def __init__(self, name):
"""Initialize the generator.
name -- A name for the PrCalculator
"""
Calculator.__init__(self, name)
# delayed import of Invertor
global Invertor
if Invertor is None:
from diffpy.srfit.sas.sasimport import sasimport
Invertor = sasimport('sas.pr.invertor').Invertor
self._invertor = Invertor()
self._newParameter("scale", 1)
self._newParameter("q", None)
self._newParameter("iq", None)
self._newParameter("diq", None)
return
def __init__(self, name):
"""Initialize the generator.
name -- A name for the PrCalculator
"""
Calculator.__init__(self, name)
# delayed import of Invertor
global Invertor
if Invertor is None:
from diffpy.srfit.sas.sasimport import sasimport
Invertor = sasimport('sas.pr.invertor').Invertor
self._invertor = Invertor()
self._newParameter("scale", 1)
self._newParameter("q", None)
self._newParameter("iq", None)
self._newParameter("diq", None)
return
# Create a singleton and a test for optional test cases
_TestCaseDisabled = object
def _allactive(*testcaseclasses):
'True if none of the testcaseclasses has been disabled.'
return not _TestCaseDisabled in testcaseclasses
def testoptional(*testcaseclasses):
'Return unittest.TestCase only if all testcaseclasses are active.'
if _allactive(*testcaseclasses): return TestCase
return _TestCaseDisabled
# Resolve the TestCase*Optional classes
try:
sasimport('sas.pr.invertor')
sasimport('sas.models')
TestCaseSaS = TestCase
except ImportError, e:
TestCaseSaS = _TestCaseDisabled
logger.warning('%s, SaS tests skipped.', e)
try:
import diffpy.Structure
TestCaseStructure = TestCase
except ImportError:
TestCaseStructure = _TestCaseDisabled
logger.warning('Cannot import diffpy.Structure, Structure tests skipped.')
try:
import pyobjcryst
