[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

tests/conftest.py

@@ -1,15 +1,16 @@
+import multiprocessing as mp
+import time
+
 import ase.build
 import ase.collections
 import pytest
-from zndraw.app import create_app, socketio
-from zndraw.utils import get_port
-import multiprocessing as mp
 from selenium import webdriver
 from selenium.webdriver.chrome.service import Service as ChromeService
 from webdriver_manager.chrome import ChromeDriverManager
-from selenium.webdriver.common.by import By
-import time
+
 from zndraw import ZnDraw
+from zndraw.app import create_app, socketio
+from zndraw.utils import get_port
 
 
 @pytest.fixture
@@ -21,24 +22,29 @@ def water() -> ase.Atoms:
 def ase_s22() -> list[ase.Atoms]:
     return list(ase.collections.s22)
 
+
 @pytest.fixture()
 def setup(request):
     options = webdriver.ChromeOptions()
-    options.add_argument('--headless')
+    options.add_argument("--headless")
     options.add_argument("--disable-3d-apis")
-    driver = webdriver.Chrome(service=ChromeService(ChromeDriverManager().install()), options=options)
+    driver = webdriver.Chrome(
+        service=ChromeService(ChromeDriverManager().install()), options=options
+    )
     request.cls.driver = driver
     yield request.cls.driver
     request.cls.driver.close()
 
+
 @pytest.fixture()
 def server():
-
     port = get_port()
-   
+
     def run_server():
         app = create_app(None, False, True)
-        socketio.run(app, port=port, debug=False, host="0.0.0.0") # NEVER EVER USE  DEBUG=TRUE HERE!!!
+        socketio.run(
+            app, port=port, debug=False, host="0.0.0.0"
+        )  # NEVER EVER USE  DEBUG=TRUE HERE!!!
 
     server_proc = mp.Process(
         target=run_server,
@@ -50,11 +56,10 @@ def run_server():
     server_proc.terminate()
     server_proc.join()
 
+
 @pytest.fixture()
 def vis(server) -> ZnDraw:
     vis = ZnDraw(url=server)
     # vis = ZnDraw(url="https://zndraw.icp.uni-stuttgart.de/", token="18f6d530e74246a9b96cca91f7fc55bc")
     yield vis
     # vis.close()
-
-

tests/test_server.py

@@ -1,23 +1,24 @@
-from typing import Any
-import pytest
+import multiprocessing as mp
 import time
+
+import pytest
 from ase.build import molecule
-from selenium.webdriver.support.wait import WebDriverWait
+
 from zndraw import ZnDraw
 from zndraw.zndraw import ZnDrawDefault
-import multiprocessing as mp
+
 
 # @pytest.mark.chrome
 @pytest.mark.usefixtures("setup")
 class TestZnDraw:
-
     def test_title(self, server):
         self.driver.get(server)
         assert self.driver.title == "ZnDraw"
 
     def test_vis(self, server):
         self.driver.get(server)
-        proc = mp.Process(target=ZnDrawDefault,
+        proc = mp.Process(
+            target=ZnDrawDefault,
             kwargs={"url": server, "token": "default"},
         )
         proc.start()
@@ -28,14 +29,13 @@ def test_vis(self, server):
             assert vis.socket.connected
             for idx in range(10):
                 vis[idx] = molecule("H2O")
-                            
+
             assert len(vis) == 10
-            
+
         finally:
             proc.terminate()
             proc.join()
 
-
         # vis[0] = molecule("H2O")
         # assert vis.socket.connected
         # assert vis[0] == molecule("H2O")
@@ -67,14 +67,11 @@ def test_vis(self, server):
         #             return True
         #         except:
         #             return False
-        #         # return True            
-
-        # wait.until(WaitUntil())
+        #         # return True
 
-
+        # wait.until(WaitUntil())
 
         # assert vis.socket.connected
         # vis[0] = molecule("H2O")
         # assert vis.socket.connected
         # assert vis[0] == molecule("H2O")
-

zndraw/app.py

@@ -1,9 +1,11 @@
+import uuid
+
 from flask import Flask
 from flask_socketio import SocketIO
-import uuid
 
 socketio = SocketIO()
 
+
 def create_app(use_token, upgrade_insecure_requests, compute_bonds) -> Flask:
     """Create the Flask app."""
 
@@ -18,8 +20,8 @@ def create_app(use_token, upgrade_insecure_requests, compute_bonds) -> Flask:
     app.config["upgrade_insecure_requests"] = upgrade_insecure_requests
     app.config["compute_bonds"] = compute_bonds
 
-
     from .server import main as main_blueprint
+
     app.register_blueprint(main_blueprint)
 
     socketio.init_app(app, cors_allowed_origins="*")

zndraw/server/__init__.py

@@ -1,8 +1,6 @@
-
 # example https://github.com/miguelgrinberg/Flask-SocketIO-Chat
 
 from flask import Blueprint
 
-main = Blueprint('main', __name__)
+main = Blueprint("main", __name__)
 
-from . import routes, events

zndraw/server/events.py

@@ -1,10 +1,12 @@
-from ..app import socketio as io
-from flask import request, session
-from flask import current_app as app
-from flask_socketio import join_room, emit, call
 import contextlib
 import logging
 
+from flask import current_app as app
+from flask import request, session
+from flask_socketio import call, emit, join_room
+
+from ..app import socketio as io
+
 log = logging.getLogger(__name__)
 
 
@@ -56,8 +58,6 @@ def disconnect():
     )
 
 
-
-
 @io.on("join")
 def join(token):
     # only used by pyclients that only connect via socket (no HTML)
@@ -68,7 +68,6 @@ def join(token):
         app.config["DEFAULT_PYCLIENT"] = request.sid
 
 
-
 @io.on("scene:schema")
 def scene_schema():
     import enum

zndraw/server/routes.py

@@ -1,9 +1,9 @@
-
-from flask import render_template, session, redirect
-from flask import current_app
+import logging
 import uuid
+
+from flask import current_app, redirect, render_template, session
+
 from . import main
-import logging
 
 log = logging.getLogger(__name__)
 
@@ -32,11 +32,13 @@ def token(token):
     session["token"] = token
     return redirect("/")
 
+
 @main.route("/exit")
 def exit_route():
     """Exit the session."""
     log.critical("Server shutting down...")
 
     from ..app import socketio
+
     socketio.stop()
-    return "Server shutting down..."
+    return "Server shutting down..."