Exemple #1
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    def test_default_no_line_type(self):
        line = 'ATOM     12  NH2 ARG A   1       2.559  16.752    1.00  1.00                 N'
        atom = read_atom_line(line)

        assert atom.__class__.__name__ == "Atom"
Exemple #2
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    def test_default_occupancy(self):
        line = 'ATOM     12  NH2 ARG A   1       2.559  16.752    1.00       14.90           N'
        atom = read_atom_line(line, "ATOM")

        assert_almost_equals(1.0, atom.occupancy)
Exemple #3
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    def test_default_b_factor(self):
        line = 'ATOM     12  NH2 ARG A   1       2.559  16.752    1.00  1.00                 N'
        atom = read_atom_line(line, "ATOM")

        assert_almost_equals(0.0, atom.b_factor)
Exemple #4
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 def test_wrong_atom_number(self):
     line = 'ATOM     OO  NH2 ARG A   1       2.559  16.752    1.00  1.00 14.90           N'
     read_atom_line(line, "ATOM")
     assert False
Exemple #5
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 def test_wrong_residue_number(self):
     line = 'ATOM     12  NH2 ARG A   A       2.559  16.752    1.00  1.00 14.90           N'
     read_atom_line(line, "ATOM")
     assert False
Exemple #6
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 def test_read_wrong_atom_line(self):
     line = 'ATOM     11  NH2 ARG A   1       2.559  16.752     AA   1.00 14.90           N'
     read_atom_line(line, "ATOM")
     assert False
Exemple #7
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 def test_read_nan_in_atom_line(self):
     line = 'ATOM     11  NH2 ARG A   1       2.559  16.752     NaN  1.00 14.90           N'
     read_atom_line(line, "ATOM")
     assert False
Exemple #8
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 def test_default_b_factor(self):
     line = 'ATOM     12  NH2 ARG A   1       2.559  16.752    1.00  1.00                 N'
     atom = read_atom_line(line, "ATOM")
     
     assert_almost_equals(0.0, atom.b_factor)
Exemple #9
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 def test_default_no_line_type(self):
     line = 'ATOM     12  NH2 ARG A   1       2.559  16.752    1.00  1.00                 N'
     atom = read_atom_line(line)
     
     assert "Atom" == atom.__class__.__name__
Exemple #10
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 def test_default_occupancy(self):
     line = 'ATOM     12  NH2 ARG A   1       2.559  16.752    1.00       14.90           N'
     atom = read_atom_line(line, "ATOM")
     
     assert_almost_equals(1.0, atom.occupancy)
Exemple #11
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 def test_wrong_residue_number(self):
     line = 'ATOM     12  NH2 ARG A   A       2.559  16.752    1.00  1.00 14.90           N'
     read_atom_line(line, "ATOM")
     assert False
Exemple #12
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 def test_wrong_atom_number(self):
     line = 'ATOM     OO  NH2 ARG A   1       2.559  16.752    1.00  1.00 14.90           N'
     read_atom_line(line, "ATOM")
     assert False
Exemple #13
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 def test_read_nan_in_atom_line(self):
     line = 'ATOM     11  NH2 ARG A   1       2.559  16.752     NaN  1.00 14.90           N'
     read_atom_line(line, "ATOM")
     assert False
Exemple #14
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 def test_read_wrong_atom_line(self):
     line = 'ATOM     11  NH2 ARG A   1       2.559  16.752     AA   1.00 14.90           N'
     read_atom_line(line, "ATOM")
     assert False