remove finish method

Author: c-w-feldmann

molpipeline/abstract_pipeline_elements/core.py

@@ -229,12 +229,6 @@ def requires_fitting(self) -> bool:
         """Return whether the object requires fitting or not."""
         return self._requires_fitting
 
-    def finish(self) -> None:
-        """Inform object that iteration has been finished. Does in most cases nothing.
-
-        Called after all transform singles have been processed. From MolPipeline
-        """
-
     def fit(self, values: Any, labels: Any = None) -> Self:
         """Fit object to input_values.
 
@@ -562,7 +556,6 @@ def transform(self, values: Any) -> Any:
         output_rows = self.pretransform(values)
         output_rows = self.finalize_list(output_rows)
         output = self.assemble_output(output_rows)
-        self.finish()
         return output
 
 

molpipeline/any2mol/sdf2mol.py

@@ -86,10 +86,6 @@ def set_params(self, **parameters: Any) -> Self:
             self.identifier = parameters["identifier"]
         return self
 
-    def finish(self) -> None:
-        """Reset the mol counter which assigns identifiers."""
-        self.mol_counter = 0
-
     def pretransform_single(self, value: str) -> OptionalMol:
         """Transform an SDF-strings to a rdkit molecule.
 

molpipeline/pipeline/_molpipeline.py

@@ -224,7 +224,7 @@ def _get_meta_element_list(
     def fit(
         self,
         x_input: Any,
-        y: Any = None,  # pylint: disable=invalid-name
+        y: Any = None,
         **fit_params: dict[Any, Any],
     ) -> Self:
         """Fit the MolPipeline according to x_input.
@@ -249,7 +249,7 @@ def fit(
             self.fit_transform(x_input)
         return self
 
-    def fit_transform(  # pylint: disable=invalid-name,unused-argument
+    def fit_transform(  # pylint: disable=unused-argument
         self,
         x_input: Any,
         y: Any = None,
@@ -396,11 +396,6 @@ def assemble_output(self, value_list: Iterable[Any]) -> Any:
             return last_element.assemble_output(value_list)
         return list(value_list)
 
-    def _finish(self) -> None:
-        """Inform each pipeline element that the iterations have finished."""
-        for p_element in self._element_list:
-            p_element.finish()
-
     def _transform_iterator(self, x_input: Any) -> Any:
         """Transform the input according to the sequence of provided PipelineElements.
 
@@ -431,7 +426,6 @@ def _transform_iterator(self, x_input: Any) -> Any:
             else:
                 yield transformed_value
         agg_filter.set_total(len(x_input))
-        self._finish()
 
     def co_transform(self, x_input: TypeFixedVarSeq) -> TypeFixedVarSeq:
         """Filter flagged rows from the input.