Module SmartsRemover

source code

Classes

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SmartsRemover
transforms molecules by removing atoms matching smarts patterns...

Functions

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_test()

source code

Variables

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biggerTest = '\n>>> smis = [\'CCOC\',\'CCO.Cl\',\'CC(=O)[O-].[...

__test__ = {'bigger': '\n>>> smis = [\'CCOC\',\'CCO.Cl\',\'CC(...

Variables Details

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biggerTest

Value:

'''
>>> smis = [\'CCOC\',\'CCO.Cl\',\'CC(=O)[O-].[Na+]\',\'OCC\',\'C[N+](C
)(C)C.[Cl-]\']
>>> mols = [Chem.MolFromSmiles(x) for x in smis]
>>> from VLib.Supply import SupplyNode
>>> suppl = SupplyNode(contents=mols)
>>> ms = [x for x in suppl]
>>> len(ms)
...

test

Value:

{'bigger': '''
>>> smis = [\'CCOC\',\'CCO.Cl\',\'CC(=O)[O-].[Na+]\',\'OCC\',\'C[N+](C
)(C)C.[Cl-]\']
>>> mols = [Chem.MolFromSmiles(x) for x in smis]
>>> from VLib.Supply import SupplyNode
>>> suppl = SupplyNode(contents=mols)
>>> ms = [x for x in suppl]
>>> len(ms)
...