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write filter configuration to metadata
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RobBuchananCompPhys committed Dec 23, 2024
1 parent cc91777 commit 505a74f
Showing 1 changed file with 9 additions and 4 deletions.
13 changes: 9 additions & 4 deletions MDANSE/Src/MDANSE/Framework/Jobs/TrajectoryFilter.py
Original file line number Diff line number Diff line change
Expand Up @@ -187,10 +187,15 @@ def finalize(self):
self._output_trajectory.close()

# Write the filter metadata to output
#HDFFormat.HDFFormat.write(
# self.configuration["output_files"]["file"],
# filter.__repr__()
#)
outputFile = h5py.File(self.configuration["output_files"]["file"], "r+")
outputFile.create_group("metadata").create_dataset(
"trajectory_filter",
(1,),
data=filter.__str__(),
dtype=h5py.string_dtype(),
)

outputFile.close()

super().finalize()

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