make things work with pandas 2.2 (#7226)

* make things work with pandas 2.2

* suppress a deprecation warning in pandas >= 2.1.0

---------

Co-authored-by: ptosco <paolo.tosco@novartis.com>

rdkit/Chem/PandasPatcher.py

@@ -52,7 +52,7 @@
         orig_get_adjustment = getattr(get_adjustment_module, get_adjustment_name)
         break
     if orig_get_adjustment is not None:
-        break
+      break
 if orig_get_adjustment is None:
   log.warning("Failed to find the pandas get_adjustment() function to patch")
   raise AttributeError
@@ -88,6 +88,13 @@
   log.warning("Failed to import pandas")
   raise
 
+dataframe_applymap = pd.DataFrame.applymap
+try:
+  if tuple(map(int, (pd.__version__.split(".")))) >= (2, 1, 0):
+    dataframe_applymap = pd.DataFrame.map
+except:
+  pass
+
 orig_to_html = getattr(to_html_class, "to_html")
 pprint_thing = pandas_formats.printing.pprint_thing
 
@@ -134,7 +141,7 @@ def get_formatters(cls, df, orig_formatters):
     df_subset = df.select_dtypes("object")
     return {
       col: cls(orig_formatters.get(col, None))
-      for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()]
+      for col in df_subset.columns[dataframe_applymap(df_subset, MolFormatter.is_mol).any()]
     }
 
   def __call__(self, x):
@@ -195,17 +202,16 @@ def patched_to_html(self, *args, **kwargs):
 
 
 def patched_get_formatter(self, i, *args, **kwargs):
-  if (isinstance(self.formatters, dict) and isinstance(i, int)
-      and i not in self.columns and hasattr(self, "tr_col_num")
-      and i >= self.tr_col_num):
-      max_cols = 0
-      if hasattr(self, "max_cols_fitted"):
-        max_cols = self.max_cols_fitted
-      elif hasattr(self, "max_cols_adj"):
-        max_cols = self.max_cols_adj
-      n_trunc_cols = len(self.columns) - max_cols
-      if n_trunc_cols > 0:
-        i += n_trunc_cols
+  if (isinstance(self.formatters, dict) and isinstance(i, int) and i not in self.columns
+      and hasattr(self, "tr_col_num") and i >= self.tr_col_num):
+    max_cols = 0
+    if hasattr(self, "max_cols_fitted"):
+      max_cols = self.max_cols_fitted
+    elif hasattr(self, "max_cols_adj"):
+      max_cols = self.max_cols_adj
+    n_trunc_cols = len(self.columns) - max_cols
+    if n_trunc_cols > 0:
+      i += n_trunc_cols
   return orig_get_formatter(self, i, *args, **kwargs)
 
 
@@ -260,9 +266,10 @@ def patchPandas():
     setattr(to_html_class, "to_html", patched_to_html)
   if getattr(html_formatter_class, "_write_cell") != patched_write_cell:
     setattr(html_formatter_class, "_write_cell", patched_write_cell)
-  if getattr(pandas_formats.format, get_adjustment_name) != patched_get_adjustment:
-    setattr(pandas_formats.format, get_adjustment_name, patched_get_adjustment)
-  if (orig_get_formatter and getattr(dataframeformatter_class, "_get_formatter") != patched_get_formatter):
+  if getattr(get_adjustment_module, get_adjustment_name) != patched_get_adjustment:
+    setattr(get_adjustment_module, get_adjustment_name, patched_get_adjustment)
+  if (orig_get_formatter
+      and getattr(dataframeformatter_class, "_get_formatter") != patched_get_formatter):
     setattr(dataframeformatter_class, "_get_formatter", patched_get_formatter)