Added function to load data for multiply MDSystem
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@ -42,3 +42,15 @@ class MDSystem(abc.ABC):
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]
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)
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run(["mv", hdf5_temp_file, hdf5_file])
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def load_and_concat_data(systems: list[MDSystem], key: str, verbose: bool = False):
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data = []
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for system in systems:
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try:
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data.append(system.load_results(key=key))
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if verbose:
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print(f"Load {system}")
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except (FileNotFoundError, KeyError):
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continue
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return pd.concat(data, ignore_index=True)
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