def compound_idxs_not_evaluated(self) -> List[int]:
"""
Returns list of compound indices where ms1 note is not 'remove' and
ms2 note is None or 'no selection'
"""
out = []
for i, compound in enumerate(self.data[0].compounds):
ms1_note = ma_data.extract(compound,
["identification", "ms1_notes"])
ms2_note = ma_data.extract(compound,
["identification", "ms2_notes"])
if (not _is_remove(ms1_note)) and (not _has_selection(ms2_note)):
out.append(i)
return out
def compound_indices_marked_remove(self) -> List[int]:
"""
outputs:
list of compound_idx of the compound identifications with ms1_notes to remove
"""
ids = ["identification", "ms1_notes"]
return [
i for i, j in enumerate(self.data[0].compounds)
if _is_remove(ma_data.extract(j, ids))
]
def test_extract_dict01():
assert gdhf.extract({"foo": 1, "bar": 2}, ["bar"]) == 2
def test_extract_tuple03():
assert gdhf.extract(("foo", "bar"), [9], "zoop") == "zoop"
def test_extract_tuple02():
assert gdhf.extract(("foo", "bar"), [-1]) == "bar"
def test_extract_list05():
assert gdhf.extract("okay", [], 99) == "okay"
def test_extract_list04():
assert gdhf.extract([], [0], 99) == 99
def test_extract_list03():
assert gdhf.extract([1, 2], [5], 99) == 99
def test_extract_list02():
assert gdhf.extract([1, 2], [5]) is None
def test_extract_list01():
assert gdhf.extract([1, 2], [0]) == 1
def test_extract_metatlas_dataset03(metatlas_dataset):
assert gdhf.extract(metatlas_dataset, ["foo"], "zoop") == "zoop"
def test_extract_metatlas_dataset02(metatlas_dataset):
ids = [0, 0, "identification", "compound", 0, "inchi_key"]
assert gdhf.extract(metatlas_dataset, ids,
"zoop") == "OLXZPDWKRNYJJZ-RRKCRQDMSA-N"
def test_extract_default01():
assert gdhf.extract({"foo": 1, "bar": 2}, ["foo", "bar"], "zoop") == "zoop"
def test_extract_dict02():
assert gdhf.extract({"foo": 1, "bar": 2}, ["blah"], "zoop") == "zoop"