Fixed formatting issues and corrected license.

molssi-seamm · Aug 4, 2024 · 350b95c · 350b95c
1 parent f011573
commit 350b95c
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Showing 4 changed files with 16 additions and 22 deletions.
diff --git a/LICENSE b/LICENSE
@@ -1,7 +1,7 @@
 
 BSD 3-Clause License
 
-Copyright (c) 2024, Paul Saxe
+Copyright (c) 2024, The Molecular Sciences Software Institute at Virginia Tech
 All rights reserved.
 
 Redistribution and use in source and binary forms, with or without

diff --git a/reaction_path_step/reaction_path.py b/reaction_path_step/reaction_path.py
@@ -66,7 +66,7 @@ def __init__(
         title="Reaction Path",
         namespace="org.molssi.seamm.reaction_path",
         extension=None,
-        logger=logger
+        logger=logger,
     ):
         """A step for Reaction Path in a SEAMM flowchart.
 
@@ -93,9 +93,7 @@ def __init__(
         """
         logger.debug(f"Creating Reaction Path {self}")
         self.subflowchart = seamm.Flowchart(
-            parent=self,
-            name="Reaction Path",
-            namespace=namespace
+            parent=self, name="Reaction Path", namespace=namespace
         )  # yapf: disable
 
         super().__init__(
@@ -117,6 +115,7 @@ def version(self):
     def git_revision(self):
         """The git version of this module."""
         return reaction_path_step.__git_revision__
+
     def set_id(self, node_id):
         """Set the id for node to a given tuple"""
         self._id = node_id
@@ -151,21 +150,19 @@ def description_text(self, P=None):
             try:
                 text += __(node.description_text(), indent=3 * " ").__str__()
             except Exception as e:
-                print(
-                    f"Error describing reaction_path flowchart: {e} in {node}"
-                )
+                print(f"Error describing reaction_path flowchart: {e} in {node}")
                 logger.critical(
                     f"Error describing reaction_path flowchart: {e} in {node}"
                 )
                 raise
             except:  # noqa: E722
                 print(
-                    "Unexpected error describing reaction_path flowchart: {} in {}"
-                    .format(sys.exc_info()[0], str(node))
+                    "Unexpected error describing reaction path flowchart: "
+                    f"{sys.exc_info()[0]} in {str(node)}"
                 )
-                logger.critical(
-                    "Unexpected error describing reaction_path flowchart: {} in {}"
-                    .format(sys.exc_info()[0], str(node))
+                self.logger.critical(
+                    "Unexpected error describing reaction path flowchart: "
+                    f"{sys.exc_info()[0]} in {str(node)}"
                 )
                 raise
             text += "\n"
@@ -200,9 +197,7 @@ def run(self):
 
         local = seamm.ExecLocal()
         result = local.run(
-            cmd=["Reaction Path", "-in", "molssi.dat"],
-            files=files,
-            return_files=[]
+            cmd=["Reaction Path", "-in", "molssi.dat"], files=files, return_files=[]
         )  # yapf: disable
 
         if result is None:

diff --git a/reaction_path_step/tk_reaction_path.py b/reaction_path_step/tk_reaction_path.py
@@ -3,14 +3,13 @@
 """The graphical part of a Reaction Path step"""
 
 import pprint  # noqa: F401
-import tkinter as tk
+import tkinter as tk  # noqa: F401
 
 import reaction_path_step  # noqa: F401
 import seamm
 from seamm_util import ureg, Q_, units_class  # noqa: F401
 
 
-
 class TkReactionPath(seamm.TkNode):
     """
     The graphical part of a Reaction Path step in a flowchart.
@@ -125,9 +124,7 @@ def create_dialog(self):
         self.dialog.geometry(f"{w}x{h}+{x}+{y}")
 
         self.tk_subflowchart = seamm.TkFlowchart(
-            master=frame,
-            flowchart=self.node.subflowchart,
-            namespace=self.namespace
+            master=frame, flowchart=self.node.subflowchart, namespace=self.namespace
         )
         self.tk_subflowchart.draw()
 

diff --git a/tests/test_reaction_path_step.py b/tests/test_reaction_path_step.py
@@ -10,4 +10,6 @@
 def test_construction():
     """Just create an object and test its type."""
     result = reaction_path_step.ReactionPath()
-    assert str(type(result)) == "<class 'reaction_path_step.reaction_path.ReactionPath'>"
+    assert (
+        str(type(result)) == "<class 'reaction_path_step.reaction_path.ReactionPath'>"
+    )