Exemple #1
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    def YYYZ(self) -> list:
        """A YYY and Z group. AES."""

        return [(x == 3 and y == 1) for (x, y) in zip(
            ut.NumHybridizationType(Chem.rdchem.HybridizationType.SP2,
                                    self.fnhybrds),
            ut.NumHybridizationType(Chem.rdchem.HybridizationType.SP,
                                    self.fnhybrds),
        )]
Exemple #2
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    def YZ(self) -> list:
        """A Y and Z group."""

        return [(x == Chem.rdchem.BondType.SINGLE and y == 1)
                for (x, y) in zip(
                    self.afbts,
                    ut.NumHybridizationType(Chem.rdchem.HybridizationType.SP,
                                            self.fnhybrds),
                )]
Exemple #3
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    def ZZ(self) -> list:
        """A group bonded to 2 sp atoms. AES."""

        return [(x == 2) for x in ut.NumHybridizationType(
            Chem.rdchem.HybridizationType.SP, self.fnhybrds)]
Exemple #4
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    def YYYYY(self) -> list:
        """A group bonded to 5 sp2 atoms. AES."""

        return [(x == 5) for x in ut.NumHybridizationType(
            Chem.rdchem.HybridizationType.SP2, self.fnhybrds)]