From a452a954398ecf2879c11c3651ba608b3ec00d1c Mon Sep 17 00:00:00 2001
From: Lester Hedges <lester.hedges@gmail.com>
Date: Fri, 1 Nov 2024 09:33:36 +0000
Subject: [PATCH] Formatting tweaks.

---
 src/somd2/io/_io.py         | 12 +++++++-----
 src/somd2/runner/_repex.py  |  4 +++-
 src/somd2/runner/_runner.py |  5 +++--
 3 files changed, 13 insertions(+), 8 deletions(-)

diff --git a/src/somd2/io/_io.py b/src/somd2/io/_io.py
index e0bcca6..4f51bcc 100644
--- a/src/somd2/io/_io.py
+++ b/src/somd2/io/_io.py
@@ -159,15 +159,17 @@ def parquet_append(filepath: _Path or str, df: _pd.DataFrame) -> None:
         Pandas dataframe to append. Must be same schema as original.
     """
     try:
+        # Use memory map for speed.
         table_original_file = _pq.read_table(
             source=str(filepath), pre_buffer=False, use_threads=True, memory_map=True
-        )  # Use memory map for speed.
+        )
         table_to_append = _pa.Table.from_pandas(df)
-        table_to_append = table_to_append.cast(
-            table_original_file.schema
-        )  # Attempt to cast new schema to existing, e.g. datetime64[ns] to datetime64[us] (may throw otherwise).
+        # Attempt to cast new schema to existing, e.g. datetime64[ns] to
+        # datetime64[us] (may throw otherwise).
+        table_to_append = table_to_append.cast(table_original_file.schema)
 
-        temp_file = str(filepath) + "_temp"  # Temporary file to write to
+        # Temporary file to write to.
+        temp_file = str(filepath) + "_temp"
 
         # Writing to a temporary file
         with _pq.ParquetWriter(temp_file, table_original_file.schema) as temp_writer:
diff --git a/src/somd2/runner/_repex.py b/src/somd2/runner/_repex.py
index 7b1c20e..1986b19 100644
--- a/src/somd2/runner/_repex.py
+++ b/src/somd2/runner/_repex.py
@@ -415,7 +415,9 @@ def run(self):
         end = time()
 
         # Log the run time in minutes.
-        _logger.success(f"Simulation finished. Run time: {(end - start) / 60:.2f} minutes")
+        _logger.success(
+            f"Simulation finished. Run time: {(end - start) / 60:.2f} minutes"
+        )
 
     def _run_block(
         self, index, lambdas, is_checkpoint, is_final_block, block, num_blocks
diff --git a/src/somd2/runner/_runner.py b/src/somd2/runner/_runner.py
index a42e9cf..b118cae 100644
--- a/src/somd2/runner/_runner.py
+++ b/src/somd2/runner/_runner.py
@@ -177,7 +177,6 @@ def run(self):
                         result = job.result()
                     except Exception as e:
                         result = False
-
                         _logger.error(
                             f"Exception raised for {_lam_sym} = {lambda_value}: {e}"
                         )
@@ -192,7 +191,9 @@ def run(self):
         end = time()
 
         # Log the run time in minutes.
-        _logger.success(f"Simulation finished. Run time: {(end - start) / 60:.2f} minutes")
+        _logger.success(
+            f"Simulation finished. Run time: {(end - start) / 60:.2f} minutes"
+        )
 
     def run_window(self, index):
         """