Backmerge: #2341 - Save to Sequence and FASTA doesn't work for monome…

…rs loaded from HELM with inline SMILES (#2367)
epam · Sep 16, 2024 · d5b2588 · d5b2588
1 parent e74230f
commit d5b2588
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Showing 5 changed files with 809 additions and 5 deletions.
diff --git a/api/tests/integration/ref/formats/ket_to_fasta.py.out b/api/tests/integration/ref/formats/ket_to_fasta.py.out
@@ -2,4 +2,5 @@
 1822-peptide.fasta:SUCCEED
 1843-rna.fasta:SUCCEED
 1950-mixed-seq.fasta:SUCCEED
+2341-no-analog.fasta:SUCCEED
 nucleotides.fasta:SUCCEED
diff --git a/api/tests/integration/tests/formats/ket_to_fasta.py b/api/tests/integration/tests/formats/ket_to_fasta.py
@@ -27,6 +27,7 @@ def find_diff(a, b):
     "1843-rna",
     "1950-mixed-seq",
     "nucleotides",
+    "2341-no-analog",
 ]
 
 lib = indigo.loadMonomerLibraryFromFile(
@@ -35,9 +36,9 @@ def find_diff(a, b):
 
 files.sort()
 for filename in files:
-    mol = indigo.loadMoleculeFromFile(os.path.join(root, filename + ".ket"))
+    mol = indigo.loadKetDocumentFromFile(os.path.join(root, filename + ".ket"))
     # with open(os.path.join(ref_path, filename) + ".fasta", "w") as file:
-    #     file.write(mol.fasta())
+    #     file.write(mol.fasta(lib))
     with open(os.path.join(ref_path, filename) + ".fasta", "r") as file:
         seq_ref = file.read()
     seq = mol.fasta(lib)