def fit(self, x, y=None):
        """Compute the header.
        """
        x = iter2array(x, dtype=(MoleculeContainer, CGRContainer))

        if self.__head_less:
            warn(f'{self.__class__.__name__} configured to head less mode. fit unusable')
            return self

        self._reset()
        self.__prepare(x)
        return self
def fit(self, x, y=None):
        """Compute the header.
        """
        x = iter2array(x, dtype=(MoleculeContainer, CGRContainer))

        if self.__head_less:
            warn(f'{self.__class__.__name__} configured to head less mode. fit unusable')
            return self

        self._reset()
        self.__prepare(x)
        return self
def fit ( self , x , y = None ) : x = iter2array ( x , dtype = ( MoleculeContainer , CGRContainer ) ) if self . __head_less : warn ( f'{self.__class__.__name__} configured to head less mode. fit unusable' ) return self self . _reset ( ) self . __prepare ( x ) return self
Compute the header.
Compute the header .