1672b5a9a47b081aa3e61c9f2ca76fae26ed8730,cheml/wrappers/cheml_cml/cheml_wrapper.py,RDKitFingerprint,fit,#RDKitFingerprint#,62

Before Change

        if "molfile" in self.parameters:
            molfile = self.parameters["molfile"]
            self.parameters.pop("molfile")
        elif not isinstance(self.legal_inputs["molfile"],type(None)):
            molfile = self.legal_inputs["molfile"][0]
        else:
            msg = "@Task //%i(%s): " % (self.iblock + 1, self.SuperFunction) + "No molecule file (molfile) has been passed"

After Change

        // step6: send out
        order = [edge[1] for edge in self.Base.graph if edge[0] == self.iblock]
        for token in set(order):
            if token not in self.outputs:
                msg = "@Task //%i(%s): not a valid output token "%s"" % (self.iblock + 1, self.Task, token)
                raise NameError(msg)
            elif token == "df":
                self.set_value(token, model.Fingerprint())
                self.outputs[token].count = order.count(token)
                self.Base.send[(self.iblock, token)] = self.outputs[token]
            elif token == "removed_rows":
                self.set_value(token, model.removed_rows)
                self.outputs[token].count = order.count(token)
                self.Base.send[(self.iblock, token)] = self.outputs[token]

        // step7: delete all inputs from memory
        del self.inputs

class Dragon(BASE):
    def fit(self):

Instances