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Commit 0e7a72a

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author
Oliver Scott
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add suppress_rdlogger to tree frags function
1 parent 5d84fa6 commit 0e7a72a

1 file changed

Lines changed: 2 additions & 4 deletions

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scaffoldgraph/tree.py

Lines changed: 2 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -8,8 +8,7 @@
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from .core import ScaffoldGraph, Scaffold, MurckoRingFragmenter
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from .core.fragment import get_murcko_scaffold
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from .prioritization import original_ruleset
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rdlogger = RDLogger.logger()
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from .utils import supress_rdlogger
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class ScaffoldTree(ScaffoldGraph):
@@ -114,6 +113,7 @@ def prioritization_rules(self):
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return self.rules
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@supress_rdlogger()
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def tree_frags_from_mol(mol, prioritization_rules=None):
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"""Generate a scaffold tree from a single molecule without using networkx.
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@@ -141,7 +141,6 @@ def tree_frags_from_mol(mol, prioritization_rules=None):
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>>> frags = tree_frags_from_mol(molecule)
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"""
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rdlogger.setLevel(4)
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scaffold = Scaffold(get_murcko_scaffold(mol))
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rdmolops.RemoveStereochemistry(scaffold.mol)
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parents = [scaffold]
@@ -158,6 +157,5 @@ def _next_scaffold(child):
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_next_scaffold(next_parent)
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_next_scaffold(scaffold)
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rdlogger.setLevel(3)
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return [p.mol for p in parents]

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