Beispiel #1
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    def test_read_write_coords(self):
        top = p.read_topology(self.initial_pdb_file, name='pyp')

        p.write_coords('test.pdb', top, p.read_coords(self.initial_pdb_file))

        for idx, (read_coords, expected_coords) in enumerate(zip(p.read_coords('test.pdb'), p.read_coords(self.initial_pdb_file))):
            self.assertEqual(list(expected_coords), list(read_coords))
Beispiel #2
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    def test_num_coords(self):
        num_in_file = sum(1 for coords in p.read_coords(self.pdb_file))

        self.assertEqual(num_in_file, self.num_coords_in_file)
Beispiel #3
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 def test_read_coords(self):
     coords = p.read_coords(self.pdb_file).next()
     self.assertEqual(list(coords), list(self.expected_coords))