add force_isolation flag on create, add docstring (#263)

* add force_isolation flag on create, add docstring

* add force_isolation to RFPFoldXStabilityAndSASA

---------

src/poli/objective_repository/foldx_rfp_lambo/register.py

@@ -84,7 +84,35 @@ def create(
         parallelize: bool = False,
         num_workers: int = None,
         evaluation_budget: int = float("inf"),
+        force_isolation: bool = False,
     ) -> Problem:
+        """
+        Creates a FoldX-RFP Lambo-specific black box instance, alongside initial
+        observations.
+
+        Parameters
+        ----------
+        seed : int, optional
+            The seed value for random number generation, by default None.
+        batch_size : int, optional
+            The batch size for parallel evaluation, by default None.
+        parallelize : bool, optional
+            Flag indicating whether to parallelize evaluation, by default False.
+        num_workers : int, optional
+            The number of workers for parallel evaluation, by default None.
+        evaluation_budget : int, optional
+            The evaluation budget, by default float("inf").
+        force_isolation : bool, optional
+            Should the problem
+        Returns
+        -------
+        f : RaspBlackBox
+            The FoldXRFP black box instance.
+        x0 : np.ndarray
+            The initial observations.
+        y0 : np.ndarray
+            The initial observations (i.e. the stability of the wildtypes).
+        """
         # TODO: allow for bigger batch_sizes
         # For now (and because of the way the black box is implemented)
         # we only allow for batch_size=1
@@ -103,6 +131,7 @@ def create(
             num_workers=num_workers,
             batch_size=batch_size,
             evaluation_budget=evaluation_budget,
+            force_isolation=force_isolation,
         )
         x0 = black_box.inner_function.x0
 

src/poli/objective_repository/rfp_foldx_stability_and_sasa/register.py

@@ -54,6 +54,7 @@ def create(
         parallelize: bool = False,
         num_workers: int = None,
         evaluation_budget: int = float("inf"),
+        force_isolation: bool = False,
     ) -> Problem:
         """
         Create a RFPFoldXSASABlackBox object and compute the initial values of wildtypes.
@@ -177,6 +178,7 @@ def create(
             parallelize=parallelize,
             num_workers=num_workers,
             evaluation_budget=evaluation_budget,
+            force_isolation=force_isolation,
         )
 
         # We need to compute the initial values of all wildtypes