def test_anisou():
"""Test writing ANISOU entries."""
ppdb = PandasPDB()
ppdb.read_pdb(TESTDATA_FILENAME2)
ppdb.to_pdb(path=OUTFILE, records=None)
with open(OUTFILE, "r") as f:
f1 = f.read()
# os.remove(OUTFILE)
assert f1 == four_eiy
def test_records():
"""Test private _read_pdb."""
ppdb = PandasPDB()
ppdb.read_pdb(TESTDATA_FILENAME)
ppdb.to_pdb(path=OUTFILE, records=["HETATM"])
with open(OUTFILE, "r") as f:
f1 = f.read()
os.remove(OUTFILE)
assert f1 == hetatm
def test_anisou():
"""Test writing ANISOU entries."""
ppdb = PandasPDB()
ppdb.read_pdb(TESTDATA_FILENAME2)
ppdb.to_pdb(path=OUTFILE, records=None)
with open(OUTFILE, 'r') as f:
f1 = f.read()
# os.remove(OUTFILE)
assert f1 == four_eiy
def test_records():
"""Test private _read_pdb."""
ppdb = PandasPDB()
ppdb.read_pdb(TESTDATA_FILENAME)
ppdb.to_pdb(path=OUTFILE, records=['HETATM'])
with open(OUTFILE, 'r') as f:
f1 = f.read()
os.remove(OUTFILE)
assert f1 == hetatm
def test_defaults():
ppdb = PandasPDB()
ppdb.read_pdb(TESTDATA_FILENAME)
ppdb.to_pdb(path=OUTFILE, records=None)
with open(TESTDATA_FILENAME, "r") as f:
f1 = f.read()
with open(OUTFILE, "r") as f:
f2 = f.read()
assert f1 == f2
os.remove(OUTFILE)
def test_defaults():
ppdb = PandasPDB()
ppdb.read_pdb(TESTDATA_FILENAME)
ppdb.to_pdb(path=OUTFILE, records=None)
with open(TESTDATA_FILENAME, 'r') as f:
f1 = f.read()
with open(OUTFILE, 'r') as f:
f2 = f.read()
assert f1 == f2
os.remove(OUTFILE)