removing unsuitable options, decompose frame conversion

python-libraries/nanover-ase/src/nanover/ase/frame_adaptor.py

@@ -5,9 +5,11 @@
 from typing import Callable
 from ase import Atoms  # type: ignore
 
-from nanover.ase.converter import ase_atoms_to_topology_frame, ase_atoms_to_regular_frame
+from nanover.ase.converter import (
+    ase_atoms_to_topology_frame,
+    ase_atoms_to_regular_frame,
+)
 from nanover.trajectory import FramePublisher
-from nanover.ase import ase_to_frame_data
 
 
 def send_ase_frame(

python-libraries/nanover-ase/src/nanover/ase/openmm/runner.py

@@ -17,7 +17,7 @@
 from nanover.essd import DiscoveryServer
 from nanover.openmm import openmm_to_frame_data, serializer
 from nanover.trajectory.frame_publisher import FramePublisher
-from openmm.app import Simulation, Topology
+from openmm.app import Simulation
 
 from nanover.ase import ase_to_frame_data
 from nanover.ase.converter import add_ase_positions_to_frame_data

python-libraries/nanover-omni/src/nanover/omni/ase.py

@@ -25,7 +25,9 @@ class ASESimulation:
     """
 
     @classmethod
-    def from_ase_dynamics(cls, dynamics: MolecularDynamics, *, name: Optional[str] = None):
+    def from_ase_dynamics(
+        cls, dynamics: MolecularDynamics, *, name: Optional[str] = None
+    ):
         """
         Construct this from an existing ASE dynamics.
         :param dynamics: An existing ASE Dynamics

python-libraries/nanover-omni/src/nanover/omni/ase_omm.py

@@ -14,7 +14,10 @@
 from nanover.ase.converter import EV_TO_KJMOL
 from nanover.ase.imd_calculator import ImdCalculator
 from nanover.ase.openmm import OpenMMCalculator
-from nanover.ase.openmm.runner import openmm_ase_atoms_to_regular_frame, openmm_ase_atoms_to_topology_frame
+from nanover.ase.openmm.runner import (
+    openmm_ase_atoms_to_regular_frame,
+    openmm_ase_atoms_to_topology_frame,
+)
 from nanover.ase.wall_constraint import VelocityWallConstraint
 from nanover.omni.ase import InitialState
 from nanover.openmm import serializer
@@ -239,4 +242,3 @@ def make_default_ase_omm_dynamics(atoms: Atoms):
     )
 
     return dynamics
-