def add_descriptor(self, descriptor, role='ignore', group_by_key=False):
        """
        Add a descriptor column.

        :param descriptor: A Descriptor instance (e.g., RealDescriptor, InorganicDescriptor, etc.)
        :param role: Specify a role (input, output, latentVariable, or ignore)
        :param group_by_key: Whether or not to group by this key during cross validation
        """

        descriptor.validate()

        if descriptor.key in self.configuration["roles"]:
            raise ValueError("Cannot add a descriptor with the same name twice")

        self.configuration['descriptors'].append(descriptor.as_dict())
        self.configuration["roles"][descriptor.key] = role

        if group_by_key:
            self.configuration["group_by"].append(descriptor.key)
def add_descriptor(self, descriptor, role='ignore', group_by_key=False):
        """
        Add a descriptor column.

        :param descriptor: A Descriptor instance (e.g., RealDescriptor, InorganicDescriptor, etc.)
        :param role: Specify a role (input, output, latentVariable, or ignore)
        :param group_by_key: Whether or not to group by this key during cross validation
        """

        descriptor.validate()

        if descriptor.key in self.configuration["roles"]:
            raise ValueError("Cannot add a descriptor with the same name twice")

        self.configuration['descriptors'].append(descriptor.as_dict())
        self.configuration["roles"][descriptor.key] = role

        if group_by_key:
            self.configuration["group_by"].append(descriptor.key)
def add_descriptor ( self , descriptor , role = 'ignore' , group_by_key = False ) : descriptor . validate ( ) if descriptor . key in self . configuration [ "roles" ] : raise ValueError ( "Cannot add a descriptor with the same name twice" ) self . configuration [ 'descriptors' ] . append ( descriptor . as_dict ( ) ) self . configuration [ "roles" ] [ descriptor . key ] = role if group_by_key : self . configuration [ "group_by" ] . append ( descriptor . key )
Add a descriptor column.

        :param descriptor: A Descriptor instance (e.g., RealDescriptor, InorganicDescriptor, etc.)
        :param role: Specify a role (input, output, latentVariable, or ignore)
        :param group_by_key: Whether or not to group by this key during cross validation
Add a descriptor column .