コード例 #1
0
    def testParser1(self):
        data = datafile("ni-q27r100-neutron.gr")
        parser = PDFParser()
        parser.parseFile(data)

        meta = parser._meta

        self.assertEqual(data, meta['filename'])
        self.assertEqual(1, meta['nbanks'])
        self.assertEqual('N', meta['stype'])
        self.assertEqual(27, meta['qmax'])
        self.assertEquals(300, meta.get('temperature'))
        self.assertEquals(None, meta.get('qdamp'))
        self.assertEquals(None, meta.get('qbroad'))
        self.assertEquals(None, meta.get('spdiameter'))
        self.assertEquals(None, meta.get('scale'))
        self.assertEquals(None, meta.get('doping'))

        x, y, dx, dy = parser.getData()
        self.assertTrue(dx is None)
        self.assertTrue(dy is None)

        testx = numpy.linspace(0.01, 100, 10000)
        diff = testx - x
        res = numpy.dot(diff, diff)
        self.assertAlmostEqual(0, res)

        testy = numpy.array([1.144, 2.258, 3.312, 4.279, 5.135, 5.862, 6.445,
            6.875, 7.150, 7.272])
        diff = testy - y[:10]
        res = numpy.dot(diff, diff)
        self.assertAlmostEqual(0, res)

        return
コード例 #2
0
ファイル: testpdf.py プロジェクト: alperkinaci/diffpy.srfit
    def testParser1(self):
        data = datafile("ni-q27r100-neutron.gr")
        parser = PDFParser()
        parser.parseFile(data)

        meta = parser._meta

        self.assertEqual(data, meta['filename'])
        self.assertEqual(1, meta['nbanks'])
        self.assertEqual('N', meta['stype'])
        self.assertEqual(27, meta['qmax'])
        self.assertEquals(300, meta.get('temperature'))
        self.assertEquals(None, meta.get('qdamp'))
        self.assertEquals(None, meta.get('qbroad'))
        self.assertEquals(None, meta.get('spdiameter'))
        self.assertEquals(None, meta.get('scale'))
        self.assertEquals(None, meta.get('doping'))

        x, y, dx, dy = parser.getData()
        self.assertTrue(dx is None)
        self.assertTrue(dy is None)

        testx = numpy.linspace(0.01, 100, 10000)
        diff = testx - x
        res = numpy.dot(diff, diff)
        self.assertAlmostEqual(0, res)

        testy = numpy.array([1.144, 2.258, 3.312, 4.279, 5.135, 5.862, 6.445,
            6.875, 7.150, 7.272])
        diff = testy - y[:10]
        res = numpy.dot(diff, diff)
        self.assertAlmostEqual(0, res)

        return
コード例 #3
0
    def testParser2(self):
        data = datafile("si-q27r60-xray.gr")
        parser = PDFParser()
        parser.parseFile(data)

        meta = parser._meta

        self.assertEqual(data, meta['filename'])
        self.assertEqual(1, meta['nbanks'])
        self.assertEqual('X', meta['stype'])
        self.assertEqual(27, meta['qmax'])
        self.assertEquals(300, meta.get('temperature'))
        self.assertEquals(None, meta.get('qdamp'))
        self.assertEquals(None, meta.get('qbroad'))
        self.assertEquals(None, meta.get('spdiameter'))
        self.assertEquals(None, meta.get('scale'))
        self.assertEquals(None, meta.get('doping'))

        x, y, dx, dy = parser.getData()
        testx = numpy.linspace(0.01, 60, 5999, endpoint=False)
        diff = testx - x
        res = numpy.dot(diff, diff)
        self.assertAlmostEqual(0, res)

        testy = numpy.array([
            0.1105784, 0.2199684, 0.3270088, 0.4305913, 0.5296853, 0.6233606,
            0.7108060, 0.7913456, 0.8644501, 0.9297440
        ])
        diff = testy - y[:10]
        res = numpy.dot(diff, diff)
        self.assertAlmostEqual(0, res)

        testdy = numpy.array([
            0.001802192, 0.003521449, 0.005079115, 0.006404892, 0.007440527,
            0.008142955, 0.008486813, 0.008466340, 0.008096858, 0.007416456
        ])
        diff = testdy - dy[:10]
        res = numpy.dot(diff, diff)
        self.assertAlmostEqual(0, res)

        self.assertTrue(dx is None)
        return
コード例 #4
0
ファイル: testpdf.py プロジェクト: alperkinaci/diffpy.srfit
    def testParser2(self):
        data = datafile("si-q27r60-xray.gr")
        parser = PDFParser()
        parser.parseFile(data)

        meta = parser._meta

        self.assertEqual(data, meta['filename'])
        self.assertEqual(1, meta['nbanks'])
        self.assertEqual('X', meta['stype'])
        self.assertEqual(27, meta['qmax'])
        self.assertEquals(300, meta.get('temperature'))
        self.assertEquals(None, meta.get('qdamp'))
        self.assertEquals(None, meta.get('qbroad'))
        self.assertEquals(None, meta.get('spdiameter'))
        self.assertEquals(None, meta.get('scale'))
        self.assertEquals(None, meta.get('doping'))

        x, y, dx, dy = parser.getData()
        testx = numpy.linspace(0.01, 60, 5999, endpoint=False)
        diff = testx - x
        res = numpy.dot(diff, diff)
        self.assertAlmostEqual(0, res)

        testy = numpy.array([0.1105784, 0.2199684, 0.3270088, 0.4305913,
            0.5296853, 0.6233606, 0.7108060, 0.7913456, 0.8644501, 0.9297440])
        diff = testy - y[:10]
        res = numpy.dot(diff, diff)
        self.assertAlmostEqual(0, res)

        testdy = numpy.array([0.001802192, 0.003521449, 0.005079115,
            0.006404892, 0.007440527, 0.008142955, 0.008486813, 0.008466340,
            0.008096858, 0.007416456])
        diff = testdy - dy[:10]
        res = numpy.dot(diff, diff)
        self.assertAlmostEqual(0, res)

        self.assertTrue(dx is None)
        return