def readObs(self, filename):
"""Load experimental PDF data from PDFGetX2 or PDFGetN gr file.
filename -- file to read from
returns self
"""
PDFDataSet.read(self, filename)
self._updateRcalcRange()
return self
def readObs(self, filename):
"""Load experimental PDF data from PDFGetX2 or PDFGetN gr file.
filename -- file to read from
returns self
"""
PDFDataSet.read(self, filename)
self._updateRcalcRange()
return self
class TestPDFDataSet(unittest.TestCase):
def setUp(self):
self.pdfds = PDFDataSet('test data set')
return
def tearDown(self):
self.pdfds = None
return
# def test___init__(self):
# """check PDFDataSet.__init__()
# """
# return
#
# def test_clear(self):
# """check PDFDataSet.clear()
# """
# return
#
# def test_setvar(self):
# """check PDFDataSet.setvar()
# """
# return
#
# def test_getvar(self):
# """check PDFDataSet.getvar()
# """
# return
#
def test_read(self):
"""check PDFDataSet.read()
"""
# neutron data -------------------------------------------------
fn_550K = datafile('550K.gr')
self.pdfds.read(fn_550K)
self.assertEqual('N', self.pdfds.stype)
self.assertEqual(32.0, self.pdfds.qmax)
# there are 2000 points in the file
npts = len(self.pdfds.robs)
self.assertEqual(2000, npts)
# drobs are all zero
self.assertEqual(npts*[0.0], self.pdfds.drobs)
# dGobs should be defined
self.failUnless(min(self.pdfds.dGobs) > 0)
# x-ray data ---------------------------------------------------
fx_Ni = datafile('Ni_2-8.chi.gr')
self.pdfds.read(fx_Ni)
self.assertEqual('X', self.pdfds.stype)
self.assertEqual(40.0, self.pdfds.qmax)
# there are 2000 points in the file
npts = len(self.pdfds.robs)
self.assertEqual(2000, npts)
# drobs are all zero
self.assertEqual(npts*[0.0], self.pdfds.drobs)
# dGobs should be defined
self.failUnless(min(self.pdfds.dGobs) > 0)
return
def test_readStr(self):
"""check PDFDataSet.readStr()
"""
# read Ni xray data, but invalidate the last dGobs
fx_Ni = datafile('Ni_2-8.chi.gr')
sNi = open(fx_Ni).read()
lastdGobs = sNi.rstrip().rindex(' ')
sNi_no_dGobs = sNi[:lastdGobs] + " -1.3e-3"
self.pdfds.readStr(sNi_no_dGobs)
# there are 2000 points in the file
npts = len(self.pdfds.robs)
self.assertEqual(2000, npts)
# dGobs should be all zero
self.assertEqual(npts*[0.0], self.pdfds.dGobs)
return
class TestPDFDataSet(unittest.TestCase):
def setUp(self):
self.pdfds = PDFDataSet('test data set')
return
def tearDown(self):
self.pdfds = None
return
# def test___init__(self):
# """check PDFDataSet.__init__()
# """
# return
#
# def test_clear(self):
# """check PDFDataSet.clear()
# """
# return
#
# def test_setvar(self):
# """check PDFDataSet.setvar()
# """
# return
#
# def test_getvar(self):
# """check PDFDataSet.getvar()
# """
# return
#
def test_read(self):
"""check PDFDataSet.read()
"""
# neutron data -------------------------------------------------
fn_550K = datafile('550K.gr')
self.pdfds.read(fn_550K)
self.assertEqual('N', self.pdfds.stype)
self.assertEqual(32.0, self.pdfds.qmax)
# there are 2000 points in the file
npts = len(self.pdfds.robs)
self.assertEqual(2000, npts)
# drobs are all zero
self.assertEqual(npts*[0.0], self.pdfds.drobs)
# dGobs should be defined
self.assertTrue(min(self.pdfds.dGobs) > 0)
# x-ray data ---------------------------------------------------
fx_Ni = datafile('Ni_2-8.chi.gr')
self.pdfds.read(fx_Ni)
self.assertEqual('X', self.pdfds.stype)
self.assertEqual(40.0, self.pdfds.qmax)
# there are 2000 points in the file
npts = len(self.pdfds.robs)
self.assertEqual(2000, npts)
# drobs are all zero
self.assertEqual(npts*[0.0], self.pdfds.drobs)
# dGobs should be defined
self.assertTrue(min(self.pdfds.dGobs) > 0)
return
def test_readStr(self):
"""check PDFDataSet.readStr()
"""
# read Ni xray data, but invalidate the last dGobs
fx_Ni = datafile('Ni_2-8.chi.gr')
sNi = open(fx_Ni).read()
lastdGobs = sNi.rstrip().rindex(' ')
sNi_no_dGobs = sNi[:lastdGobs] + " -1.3e-3"
self.pdfds.readStr(sNi_no_dGobs)
# there are 2000 points in the file
npts = len(self.pdfds.robs)
self.assertEqual(2000, npts)
# dGobs should be all zero
self.assertEqual(npts*[0.0], self.pdfds.dGobs)
return
