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clean up commented code in fragment_utils.py
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rmgpy/molecule/fragment_utils.py

Lines changed: 0 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -492,7 +492,6 @@ def cut_and_place_cutting_labels(rdfrag, bond_to_cut):
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def add_starting_fragment_cut_if_needed(species_fragment, nearest_cutting_label, starting_fragment_smiles,species_cutting_threshold = 20):
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merged_frag = merge_fragment_a_to_cutting_label_on_b(starting_fragment_smiles,species_fragment.smiles, nearest_cutting_label)
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# print("ADD STARTING FRAG - FRAG\n",[([x.id for x in k.bonds.keys()], v) for k,v in {atom:atom.id for atom in merged_frag.atoms}.items()])
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merged_frag_smiles = merged_frag.smiles
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if merged_frag_smiles.count("C") + merged_frag_smiles.count("c") > species_cutting_threshold:
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cuttable_bonds = return_cuttable_bonds(merged_frag)
@@ -518,10 +517,8 @@ def check_if_bond_is_cuttable(frag, bond_idx_tuple):
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return False
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def return_cuttable_bonds(frag):
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# print("RETURN CUTTABLE BONDS - FRAG\n",[([x.id for x in k.bonds.keys()], v) for k,v in {atom:atom.id for atom in frag.atoms}.items()])
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frag, single_cc_bonds = get_single_cc_bonds(frag)
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# print("SINGLE CC BONDS",single_cc_bonds)
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cuttable_bonds = []
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for bond_idx_tuple in single_cc_bonds:
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cuttable_bool = check_if_bond_is_cuttable(frag, bond_idx_tuple)

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