e0ed5da44b
- the pdb format requires a 5-character field for the atom number; the hybrid-36 format allows up to a ridiculous number of atoms
58 lines
1.5 KiB
Python
58 lines
1.5 KiB
Python
import unittest
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import propka.hybrid36 as hybrid36
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class Hybrid36Test(unittest.TestCase):
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def testDecode(self):
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test_values = {
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"99999": 99999,
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"A0000": 100000,
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"0": 0,
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"9": 9,
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"A": 10,
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" ZZZZY": 43770014,
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"ZZZZZ": 43770015, # ZZZZZ - A0000 + 100000
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"a0000": 43770016,
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"zzzzz": 87440031,
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"zzzzy": 87440030,
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"99": 99,
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"A0": 100,
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"ZZ": 1035,
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"zz": 1971,
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"-99999": -99999,
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"-A0000": -100000,
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"-0": 0,
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"-9": -9,
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"-A": -10,
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"-ZZZZY": -43770014,
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"-ZZZZZ": -43770015, # ZZZZZ - A0000 + 100000
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"-a0000": -43770016,
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"-zzzzz": -87440031,
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"-zzzzy": -87440030,
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"-99": -99,
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"-A0": -100,
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"-ZZ": -1035,
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"-zz": -1971,
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"PROPKA": 954495146,
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"A001Z": 100071,
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"B0000": 1779616,
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}
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for k, v in test_values.iteritems():
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self.assertEqual(hybrid36.decode(k), v)
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def testErrors(self):
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test_values = [
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"99X99",
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"X9-99",
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"XYZa",
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"",
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"-",
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"!NotOk",
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]
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for v in test_values:
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with self.assertRaises(ValueError) as e:
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hybrid36.decode(v)
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self.assertTrue(v in str(e.exception))
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