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fix ut
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AliaksandrDziarkach committed Feb 20, 2025
1 parent 0d98c0b commit 770d7a5
Showing 1 changed file with 6 additions and 5 deletions.
11 changes: 6 additions & 5 deletions api/tests/integration/tests/formats/ket_to_ket.py
Original file line number Diff line number Diff line change
Expand Up @@ -60,16 +60,16 @@ def check_res(filename, format, ket_ref, ket):
"monomer_shape",
"ambiguous_monomer",
]
formats = {
savers = {
"doc": [indigo.loadKetDocument],
"mol": [indigo.loadMolecule, indigo.loadQueryMolecule],
}
for filename in sorted(files):
for format in sorted(formats.keys()):
for format in sorted(savers.keys()):
file_path = os.path.join(ref_path, filename)
with open("{}_{}.ket".format(file_path, format), "r") as file:
ket_ref = file.read()
for loader in formats[format]:
for loader in savers[format]:
mol = loader(ket_ref)
# with open("{}_{}.ket".format(file_path, format), "w") as file:
# file.write(mol.json())
Expand All @@ -79,8 +79,9 @@ def check_res(filename, format, ket_ref, ket):
filename = "2707_subst_count"
file_path = os.path.join(ref_path, filename)
mol = indigo.loadQueryMoleculeFromFile("{}.ket".format(file_path))
for format, saver in {"ket": mol.json, "mol": mol.molfile}.items():
data = saver()
savers = {"ket": mol.json, "mol": mol.molfile}
for format in sorted(savers.keys()):
data = savers[format]()
# with open("{}.{}".format(file_path, format), "w") as file:
# file.write(data)
with open("{}.{}".format(file_path, format), "r") as file:
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