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)
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)
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)
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)
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)
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)
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)
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)