Пример #1
0
def test_is_tls_sum_other6():
    """Tests that tls_sum is correctly parsed from REMARK 3 records.

    The example is taken from 1ocx.
    """
    records = {"REMARK": [
        "  3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE       "
        "   ",
        "  3  RIDING POSITIONS. INDIVIDUAL B-FACTOR REFINEMENT WAS PRECEEDED   "
        "   ",
        "  3  BY TLS REFINEMENT IN WHICH EACH MONOMER WAS DIVIDED INTO THREE   "
        "   ",
        "  3  TLS GROUPS. THE DEPOSITED STRUCTURE SHOWS ANISOTROPIC B          "
        "   ",
        "  3  FACTORS THAT RESULT FROM THE COMBINATION OF THE TLS COMPONENTS   "
        "   ",
        "  3  WITH THE RESIDUAL INDIVIDUAL B FACTORS. THE CCP4 PROGRAM         "
        "   ",
        "  3  TLSANAL WAS USED TO COMBINE THE TWO.                             "
        "   ",
        "  4                                                                   "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)

    records = {"REMARK": [
        "  3  OTHER REFINEMENT REMARKS:                                        "
        "   ",
        "  3  COMBINATION OF TLS COMPONENT WITH RESIDUAL B FACTOR              "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)
Пример #2
0
def test_is_tls_sum_other4():
    """Tests that tls_sum is correctly parsed from REMARK 3 records.

    The example is taken from 2ix9.
    """
    records = {"REMARK": [
        "  3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE       "
        "   ",
        "  3  RIDING POSITIONS.B FACTORS CORRESPOND TO THE OVERALL B FACTORS   "
        "   ",
        "  3  EQUAL TO THE RESIDUAL PLUS THE TLS COMPONENT.                    "
        "   ",
        "  4                                                                   "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)

    records = {"REMARK": [
        "  3  OTHER REFINEMENT REMARKS: RESIDUAL PLUS TLS                      "
        "   ",
        "  4                                                                   "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)
Пример #3
0
def test_is_tls_sum_other5():
    """Tests that tls_sum is correctly parsed from REMARK 3 records.

    The example is taken from 3msq.
    """
    records = {"REMARK": [
        "  3  OTHER REFINEMENT REMARKS:                                        "
        "   ",
        "  3  INCORPORATION. 2. B-FACTORS CONTAIN BOTH TLS AND RESIDUAL        "
        "   ",
        "  3  COMPONENTS.                                                      "
        "   ",
        "  4                                                                   "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)

    records = {"REMARK": [
        "  3  OTHER REFINEMENT REMARKS:                                        "
        "   ",
        "  3  B FACTOR CONTAINS TLS AND RESIDUAL COMPONENTS                    "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)
Пример #4
0
def test_is_tls_sum_other3():
    """Tests that tls_sum is correctly parsed from REMARK 3 records.

    e.g. 2wnj
    """
    records = {"REMARK": [
        "  3                                                                   "
        "   ",
        "  3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE       "
        "   ",
        "  3   RIDING POSITIONS. GLOBAL B-FACTORS, CONTAINING RESIDUAL         "
        "   ",
        "  3   AND TLS COMPONENT HAVE BEEN DEPOSITED                           "
        "   ",
        "  4                                                                   "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)

    records = {"REMARK": [
        "  3  OTHER REFINEMENT REMARKS:                                        "
        "   ",
        "  3  B-FACTORS RESIDUAL + TLS COMPONENTS                              "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)
Пример #5
0
def test_is_tls_sum_other1():
    """Tests that tls_sum is correctly parsed from REMARK 3 records.

    e.g. 2r99
    """
    records = {"REMARK": [
        "  3                                                                   "
        "   ",
        "  3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE       "
        "   ",
        "  3  RIDING POSITIONS, ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL   "
        "   ",
        "  3  B FACTORS, ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U      "
        "   ",
        "  3  FACTORS                                                          "
        "   ",
        "  4                                                                   "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)

    records = {"REMARK": [
        "  3  OTHER REFINEMENT REMARKS:                                        "
        "   ",
        "  3  SUM OF   TLS    AND RESIDUAL   U  VALUE                          "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)
Пример #6
0
def test_is_tls_sum_false():
    """Tests that tls_sum is correctly parsed from REMARK 3 records."""
    records = {"REMARK": ["  3                             ", ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, False)

    records = {"REMARK": [
        "  3                                                                   "
        "   ",
        "  3  OTHER REFINEMENT REMARKS: NULL                                   "
        "   ",
        "  4                                                                   "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, False)

    records = {"REMARK": [
        "  3                                                                   "
        "   ",
        "  3  OTHER REFINEMENT REMARKS: NO HINTS ABOUT B FACTORS               "
        "   ",
        "  4                                                                   "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, False)
Пример #7
0
def test_is_tls_sum_other2():
    """Tests that tls_sum is correctly parsed from REMARK 3 records."""
    records = {"REMARK": [
        "  3  OTHER REFINEMENT REMARKS:                                        "
        "   ",
        "  3  B FACTORS WITH  TLS      ADDED                                   "
        "   ",
        ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)
Пример #8
0
def test_is_tls_sum_remark3():
    """Tests that tls_sum is correctly parsed from REMARK 3 records."""
    records = {"REMARK": ["  3   ATOM RECORD CONTAINS SUM OF TLS AND "
                          "RESIDUAL B FACTORS", ]}
    tls_sum = is_tls_sum(records)
    eq_(tls_sum, True)