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format adjacency list when importing
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kiancm committed Jan 13, 2021
1 parent 1cb9aeb commit 968a421
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion database/scripts/import_rmg_models.py
Original file line number Diff line number Diff line change
Expand Up @@ -139,7 +139,7 @@ def get_or_create_species(kinetic_model, name, molecules, models):
for molecule in molecules:
smiles = molecule.to_smiles()
augmented_inchi = molecule.to_augmented_inchi()
adjacency_list = molecule.to_adjacency_list()
adjacency_list = molecule.to_adjacency_list().strip()
multiplicity = molecule.multiplicity
isomer, _ = models.Isomer.objects.get_or_create(inchi=augmented_inchi, formula=formula_obj)
isomers.append(isomer)
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