def test___getstate__(self): """check OverlapCalculator.__getstate__() """ olc = self.olc self.assertIs(None, olc.__getstate__()[-1]) tb = CovalentRadiiTable() olc.atomradiitable = tb self.assertIs(tb, olc.__getstate__()[-1]) olc.atomradiitable = "constant" self.assertIs(None, olc.__getstate__()[-1]) return
def test_pickling_artb(self): '''check pickling and unpickling of OverlapCalculator.atomradiitable. ''' olc = self.olc olc.atomradiitable.setDefault(1.3) spkl = pickle.dumps(olc) olc1 = pickle.loads(spkl) self.assertFalse(olc is olc1) self.assertEqual(1.3, olc1.atomradiitable.getDefault()) olc.atomradiitable = CovalentRadiiTable() olc.atomradiitable.setCustom('Na', 2) olc.atomradiitable.foo = 123 spkl2 = pickle.dumps(olc) olc2 = pickle.loads(spkl2) self.assertEqual(2, olc2.atomradiitable.lookup('Na')) self.assertEqual(1, len(olc2.atomradiitable.getAllCustom())) self.assertEqual(123, olc2.atomradiitable.foo) return
def setUp(self): self.rtb = CovalentRadiiTable() return
class TestCovalentRadiiTable(unittest.TestCase): def setUp(self): self.rtb = CovalentRadiiTable() return def tearDown(self): return def test_pickling(self): '''check pickling and unpickling of CovalentRadiiTable. ''' rtb1 = cPickle.loads(cPickle.dumps(self.rtb)) self.assertTrue(type(rtb1) is CovalentRadiiTable) self.assertEqual({}, rtb1.getAllCustom()) self.rtb.setCustom('Na', 1.3) self.rtb.foobar = 'foo' rtb2 = cPickle.loads(cPickle.dumps(self.rtb)) self.assertEqual({'Na': 1.3}, rtb2.getAllCustom()) self.assertEqual('foo', rtb2.foobar) return def test__tableLookup(self): """check CovalentRadiiTable._tableLookup() """ self.assertEqual(1.22, self.rtb._tableLookup('Ga')) return def test_fromString(self): """check CovalentRadiiTable.fromString() """ self.rtb.fromString('Ga:2.22') self.assertEqual(2.22, self.rtb.lookup('Ga')) return def test_getAllCustom(self): """check CovalentRadiiTable.getAllCustom() """ self.assertEqual({}, self.rtb.getAllCustom()) return def test_lookup(self): """check CovalentRadiiTable.lookup() """ self.assertEqual(1.22, self.rtb.lookup('Ga')) self.rtb.fromString('Ga:2.22') self.assertEqual(2.22, self.rtb.lookup('Ga')) return def test_resetCustom(self): """check CovalentRadiiTable.resetCustom() """ self.rtb.fromString('B:2.33, Ga:2.22') self.rtb.resetCustom('B') self.rtb.resetCustom('nada') self.assertEqual(1, len(self.rtb.getAllCustom())) self.assertEqual(0.84, self.rtb.lookup('B')) self.assertEqual(2.22, self.rtb.lookup('Ga')) return def test_setCustom(self): """check CovalentRadiiTable.setCustom() """ self.assertEqual(0.84, self.rtb.lookup('B')) self.rtb.setCustom('B', 0.9) self.assertEqual(0.9, self.rtb.lookup('B')) return def test_toString(self): """check CovalentRadiiTable.toString() """ self.assertEqual('', self.rtb.toString(';---')) return
class TestCovalentRadiiTable(TestCasePeriodictableOptional): def setUp(self): self.rtb = CovalentRadiiTable() return def tearDown(self): return def test_pickling(self): '''check pickling and unpickling of CovalentRadiiTable. ''' rtb1 = cPickle.loads(cPickle.dumps(self.rtb)) self.assertTrue(type(rtb1) is CovalentRadiiTable) self.assertEqual({}, rtb1.getAllCustom()) self.rtb.setCustom('Na', 1.3) self.rtb.foobar = 'foo' rtb2 = cPickle.loads(cPickle.dumps(self.rtb)) self.assertEqual({'Na' : 1.3}, rtb2.getAllCustom()) self.assertEqual('foo', rtb2.foobar) return def test__standardLookup(self): """check CovalentRadiiTable._standardLookup() """ self.assertEqual(1.22, self.rtb._standardLookup('Ga')) return def test_create(self): """check CovalentRadiiTable.create() """ self.rtb.setCustom('Na', 1.3) rtb2 = self.rtb.create() self.assertTrue(isinstance(rtb2, CovalentRadiiTable)) self.assertEqual(1, len(self.rtb.getAllCustom())) self.assertEqual(0, len(rtb2.getAllCustom())) return def test_clone(self): """check CovalentRadiiTable.clone() """ self.rtb.setCustom('Na', 1.3) rtb2 = self.rtb.clone() self.assertTrue(isinstance(rtb2, CovalentRadiiTable)) self.assertEqual(1, len(rtb2.getAllCustom())) self.assertEqual(1.3, rtb2.lookup('Na')) return def test_fromString(self): """check CovalentRadiiTable.fromString() """ self.rtb.fromString('Ga:2.22') self.assertEqual(2.22, self.rtb.lookup('Ga')) return def test_getAllCustom(self): """check CovalentRadiiTable.getAllCustom() """ self.assertEqual({}, self.rtb.getAllCustom()) return def test_lookup(self): """check CovalentRadiiTable.lookup() """ self.assertEqual(1.22, self.rtb.lookup('Ga')) self.rtb.fromString('Ga:2.22') self.assertEqual(2.22, self.rtb.lookup('Ga')) return def test_resetCustom(self): """check CovalentRadiiTable.resetCustom() """ self.rtb.fromString('B:2.33, Ga:2.22') self.rtb.resetCustom('B') self.rtb.resetCustom('nada') self.assertEqual(1, len(self.rtb.getAllCustom())) self.assertEqual(0.84, self.rtb.lookup('B')) self.assertEqual(2.22, self.rtb.lookup('Ga')) return def test_setCustom(self): """check CovalentRadiiTable.setCustom() """ self.assertEqual(0.84, self.rtb.lookup('B')) self.rtb.setCustom('B', 0.9) self.assertEqual(0.9, self.rtb.lookup('B')) return def test_toString(self): """check CovalentRadiiTable.toString() """ self.assertEqual('', self.rtb.toString(';---')) return