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BaseScreen.BaseScreen --+
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AromaticChangeScreen
>>> screen = AromaticChangeScreen(True); >>> screen.screenSmiles("C=CC=C.C=C>>C1CC=CCC1"); False >>> screen.screenSmiles("N=[N+]=[N-].C#C>>c1cnn[nH]1"); True >>> screen.screenSmiles("C.C=C>>C1CC1"); False >>> screen.screenSmiles("CC.C=C>>C1CCC1"); False >>> screen.screenSmiles("C1CC=CCC1>>C=CC=C.C=C"); False >>> screen.screenSmiles("c1cnn[nH]1>>N=[N+]=[N-].C#C"); False
>>> screen = AromaticChangeScreen(False); >>> screen.screenSmiles("C=CC=C.C=C>>C1CC=CCC1"); False >>> screen.screenSmiles("N=[N+]=[N-].C#C>>c1cnn[nH]1"); False >>> screen.screenSmiles("C.C=C>>C1CC1"); False >>> screen.screenSmiles("CC.C=C>>C1CCC1"); False >>> screen.screenSmiles("C1CC=CCC1>>C=CC=C.C=C"); False >>> screen.screenSmiles("c1cnn[nH]1>>N=[N+]=[N-].C#C"); True
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Constructor.
formation
Indicates if the screen is to allow reactions where
there is "formation" of aromatic systems.
That is, where there are more such systems in the products
than reactants. If false, will instead look for
"destruction" where there are fewer such systems in the
products than reactants.
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