adding str typing to h5save_out input

wedap/h5_pdist.py

@@ -154,9 +154,9 @@ def __init__(self, h5="west.h5", data_type=None, Xname="pcoord", Xindex=0, Yname
         self.Xsave_name = Xsave_name
         self.Ysave_name = Ysave_name
         self.Zsave_name = Zsave_name
-        # if H5save_out is not None:
-        #     shutil.copyfile(self.h5_name, H5save_out)
-        #     self.H5save_out = h5py.File(H5save_out, "r+")
+        if H5save_out is not None:
+            shutil.copyfile(self.h5_name, str(H5save_out))
+            self.H5save_out = h5py.File(H5save_out, "r+")
 
         # raw data processing function
         # TODO: allow for 2-3 functions as tuple input, right now one function only
@@ -534,7 +534,7 @@ def _new_weights_from_skip_basis(self):
 
         Returns
         -------
-        self.weights : array
+        new_weights : array
             Updated weight array with zero values for skipped basis states.
         """
         # TODO: doesn't work with --first-iter
@@ -810,6 +810,10 @@ def w_succ(self):
         TODO eventually can use this to plot pdist of succ only trajs
         note that I would have to norm by the overall pmax (not just succ pmax)
         Could have this be an optional feature.
+
+        Returns
+        -------
+        succ : list of tuples (iter,wlk)
         """
         succ = []
         for iter in tqdm(range(self.first_iter, self.last_iter + 1), 
@@ -1307,8 +1311,8 @@ def make_new_h5(self, new_weights=None):
             Updated weight values, e.g. from skip_basis or succ_only.
         """
         # make copy of h5 file and open copy
-        shutil.copyfile(self.h5_name, self.H5save_out)
-        self.H5save_out = h5py.File(self.H5save_out, "r+")
+        # shutil.copyfile(self.h5_name, self.H5save_out)
+        # self.H5save_out = h5py.File(self.H5save_out, "r+")
         # replace weights
         if new_weights is not None:
             for idx, weight in enumerate(new_weights):