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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -358,6 +358,18 @@ def check_if_pibond_near_cutting_label(species_smiles):
358358 return False
359359
360360def merge_fragment_a_to_cutting_label_on_b (smiles_a , smiles_b , cuttinglabel ):
361+ """
362+ This function takes two SMILES strings representing molecular fragments and merges them at the specified
363+ cutting label on the fragment represented by smiles_b
364+
365+ Parameters:
366+ smiles_a (str): The SMILES string of the first molecular fragment.
367+ smiles_b (str): The SMILES string of the second molecular fragment.
368+ cuttinglabel (CuttingLabel): The label indicating where the first fragment should be merged to the second.
369+
370+ Returns:
371+ Fragment: A new fragment object obtained by merging the two input fragments at the specified cutting label.
372+ """
361373 a_frag = Fragment ().from_smiles_like_string (smiles_a )
362374 b_frag = Fragment ().from_smiles_like_string (smiles_b )
363375 for vertex in b_frag .vertices :
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