Exemplo n.º 1
0
 def setUp(self):
     self.builder = UBMatrixBuilder()
     self.valid_matrix = {u'_diffrn_orient_matrix_ub_11': u'-0.03',
                          u'_diffrn_orient_matrix_ub_12': u'0.13',
                          u'_diffrn_orient_matrix_ub_13': u'0.31',
                          u'_diffrn_orient_matrix_ub_21': u'0.01',
                          u'_diffrn_orient_matrix_ub_22': u'-0.31',
                          u'_diffrn_orient_matrix_ub_23': u'0.14',
                          u'_diffrn_orient_matrix_ub_31': u'0.34',
                          u'_diffrn_orient_matrix_ub_32': u'0.02',
                          u'_diffrn_orient_matrix_ub_33': u'0.02'}
Exemplo n.º 2
0
class UBMatrixBuilderTest(unittest.TestCase):
    def setUp(self):
        self.builder = UBMatrixBuilder()
        self.valid_matrix = {
            u'_diffrn_orient_matrix_ub_11': u'-0.03',
            u'_diffrn_orient_matrix_ub_12': u'0.13',
            u'_diffrn_orient_matrix_ub_13': u'0.31',
            u'_diffrn_orient_matrix_ub_21': u'0.01',
            u'_diffrn_orient_matrix_ub_22': u'-0.31',
            u'_diffrn_orient_matrix_ub_23': u'0.14',
            u'_diffrn_orient_matrix_ub_31': u'0.34',
            u'_diffrn_orient_matrix_ub_32': u'0.02',
            u'_diffrn_orient_matrix_ub_33': u'0.02'
        }

    def test_getUBMatrix_invalid(self):
        for key in self.valid_matrix:
            tmp = self.valid_matrix.copy()
            del tmp[key]

            self.assertRaises(RuntimeError,
                              self.builder._getUBMatrix,
                              cifData=tmp)

    def test_getUBMatrix_correct(self):
        self.assertEqual(self.builder._getUBMatrix(self.valid_matrix),
                         '-0.03,0.13,0.31,0.01,-0.31,0.14,0.34,0.02,0.02')
Exemplo n.º 3
0
 def setUp(self):
     self.builder = UBMatrixBuilder()
     self.valid_matrix = {u'_diffrn_orient_matrix_ub_11': u'-0.03',
                          u'_diffrn_orient_matrix_ub_12': u'0.13',
                          u'_diffrn_orient_matrix_ub_13': u'0.31',
                          u'_diffrn_orient_matrix_ub_21': u'0.01',
                          u'_diffrn_orient_matrix_ub_22': u'-0.31',
                          u'_diffrn_orient_matrix_ub_23': u'0.14',
                          u'_diffrn_orient_matrix_ub_31': u'0.34',
                          u'_diffrn_orient_matrix_ub_32': u'0.02',
                          u'_diffrn_orient_matrix_ub_33': u'0.02'}
Exemplo n.º 4
0
 def setUp(self):
     self.builder = UBMatrixBuilder()
     self.valid_matrix = {
         u"_diffrn_orient_matrix_ub_11": u"-0.03",
         u"_diffrn_orient_matrix_ub_12": u"0.13",
         u"_diffrn_orient_matrix_ub_13": u"0.31",
         u"_diffrn_orient_matrix_ub_21": u"0.01",
         u"_diffrn_orient_matrix_ub_22": u"-0.31",
         u"_diffrn_orient_matrix_ub_23": u"0.14",
         u"_diffrn_orient_matrix_ub_31": u"0.34",
         u"_diffrn_orient_matrix_ub_32": u"0.02",
         u"_diffrn_orient_matrix_ub_33": u"0.02",
     }
Exemplo n.º 5
0
class UBMatrixBuilderTest(unittest.TestCase):
    def setUp(self):
        self.builder = UBMatrixBuilder()
        self.valid_matrix = {u'_diffrn_orient_matrix_ub_11': u'-0.03',
                             u'_diffrn_orient_matrix_ub_12': u'0.13',
                             u'_diffrn_orient_matrix_ub_13': u'0.31',
                             u'_diffrn_orient_matrix_ub_21': u'0.01',
                             u'_diffrn_orient_matrix_ub_22': u'-0.31',
                             u'_diffrn_orient_matrix_ub_23': u'0.14',
                             u'_diffrn_orient_matrix_ub_31': u'0.34',
                             u'_diffrn_orient_matrix_ub_32': u'0.02',
                             u'_diffrn_orient_matrix_ub_33': u'0.02'}

    def test_getUBMatrix_invalid(self):
        for key in self.valid_matrix:
            tmp = self.valid_matrix.copy()
            del tmp[key]

            self.assertRaises(RuntimeError, self.builder._getUBMatrix, cifData=tmp)

    def test_getUBMatrix_correct(self):
        self.assertEqual(self.builder._getUBMatrix(self.valid_matrix), '-0.03,0.13,0.31,0.01,-0.31,0.14,0.34,0.02,0.02')
Exemplo n.º 6
0
class UBMatrixBuilderTest(unittest.TestCase):
    def setUp(self):
        self.builder = UBMatrixBuilder()
        self.valid_matrix = {
            u"_diffrn_orient_matrix_ub_11": u"-0.03",
            u"_diffrn_orient_matrix_ub_12": u"0.13",
            u"_diffrn_orient_matrix_ub_13": u"0.31",
            u"_diffrn_orient_matrix_ub_21": u"0.01",
            u"_diffrn_orient_matrix_ub_22": u"-0.31",
            u"_diffrn_orient_matrix_ub_23": u"0.14",
            u"_diffrn_orient_matrix_ub_31": u"0.34",
            u"_diffrn_orient_matrix_ub_32": u"0.02",
            u"_diffrn_orient_matrix_ub_33": u"0.02",
        }

    def test_getUBMatrix_invalid(self):
        for key in self.valid_matrix:
            tmp = self.valid_matrix.copy()
            del tmp[key]

            self.assertRaises(RuntimeError, self.builder._getUBMatrix, cifData=tmp)

    def test_getUBMatrix_correct(self):
        self.assertEqual(self.builder._getUBMatrix(self.valid_matrix), "-0.03,0.13,0.31,0.01,-0.31,0.14,0.34,0.02,0.02")