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BaseScreen.BaseScreen --+ | 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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