def test__multi():
""" test conv.multi
"""
mcap = autoparse.find.first_capture(XYZ_LINE_PATTERN, XYZ_STRING)
mval = autoparse.cast(mcap)
assert mval == ('F', 1.584823, -0.748487, -0.427122)
mcap = autoparse.find.first_capture(BAD_XYZ_LINE_PATTERN, XYZ_STRING)
mval = autoparse.cast(mcap)
assert mval is None
def test__single():
""" test conv.single
"""
bad_mult_pattern = autoparse.pattern.LINESPACES.join([
autoparse.pattern.escape('multiplicity:'),
autoparse.pattern.capturing(autoparse.pattern.UNSIGNED_INTEGER),
])
mult_pattern = autoparse.pattern.LINESPACES.join([
autoparse.pattern.escape('mult:'),
autoparse.pattern.capturing(autoparse.pattern.UNSIGNED_INTEGER),
])
cap = autoparse.find.first_capture(bad_mult_pattern, XYZ_STRING)
val = autoparse.cast(cap)
assert val is None
mcap = autoparse.find.first_capture(mult_pattern, XYZ_STRING)
mval = autoparse.cast(mcap)
assert mval == 1
def test__singles():
""" test conv.singles
"""
pattern = autoparse.pattern.capturing(autoparse.pattern.FLOAT)
caps = autoparse.find.all_captures(pattern, XYZ_STRING)
vals = autoparse.cast(caps)
assert vals == (1.584823, -0.748487, -0.427122, 0.61922, 0.190166,
-0.271639, -0.635731, -0.183914, -0.180364, -1.602333,
0.736678, -0.026051, 0.916321, 1.229946, -0.227127,
-0.8823, -1.224388, -0.229636)
def test__multis():
""" test conv.multis
"""
mcaps = autoparse.find.all_captures(XYZ_LINE_PATTERN, XYZ_STRING)
mvals = autoparse.cast(mcaps)
assert mvals == (('F', 1.584823, -0.748487,
-0.427122), ('C', 0.61922, 0.190166, -0.271639),
('C', -0.635731, -0.183914,
-0.180364), ('Cl', -1.602333, 0.736678, -0.026051),
('H', 0.916321, 1.229946,
-0.227127), ('H', -0.8823, -1.224388, -0.229636))