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Add unit cell updating for each frame in 3D Viewer #371

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merged 1 commit into from
Mar 19, 2024
Merged

Add unit cell updating for each frame in 3D Viewer #371

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6 changes: 4 additions & 2 deletions MDANSE_GUI/Src/MDANSE_GUI/MolecularViewer/readers/hdf5wrapper.py
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Original file line number Diff line number Diff line change
Expand Up @@ -14,6 +14,8 @@

import numpy as np

from MDANSE.MolecularDynamics.UnitCell import UnitCell

from MDANSE_GUI.MolecularViewer.readers.i_reader import IReader


Expand All @@ -36,9 +38,9 @@ def read_frame(self, frame: int) -> "np.array":
coords = self._trajectory[frame]["coordinates"]
return np.array(coords)

def read_pbc(self, frame: int) -> "np.array":
def read_pbc(self, frame: int) -> UnitCell:
try:
unit_cell = self._chemical_system.configuration.unit_cell
unit_cell = self._trajectory.unit_cell(frame)
except AttributeError:
unit_cell = None
return unit_cell
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