def readObsStr(self, datastring): """Read experimental PDF data from a string datastring -- string of raw data returns self """ PDFDataSet.readStr(self, datastring) self._updateRcalcRange() return self
def readObsStr(self, datastring): """Read experimental PDF data from a string datastring -- string of raw data returns self """ PDFDataSet.readStr(self, datastring) 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