Remove broken charge file
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@ -27,10 +27,13 @@ if __name__ == "__main__":
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charge_files = list()
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for filename in charge_filenames:
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charge_files.append(ChargeFile(os.path.join(args.data, filename)))
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charge_files.sort(key=lambda charge_file: charge_file.step)
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cells = set()
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for filename in tqdm(spectra_filenames, desc="Finding cells"):
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tokens = filename.split('.')[0].split('-')
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if len(tokens) != 3:
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continue
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cellid = int(tokens[1])
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cells.add(cellid)
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@ -40,11 +43,14 @@ if __name__ == "__main__":
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for filename in tqdm(spectra_filenames, desc="Resolveing data"):
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tokens = filename.split('.')[0].split('-')
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if len(tokens) != 3:
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continue
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step = int(tokens[0])
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cellid = int(tokens[1])
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substep = int(tokens[2])
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sf = SpectraFile(os.path.join(args.data, filename), cellid, step, substep, charge_files, len(cells))
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spectras.append(sf)
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spectras.sort(key=lambda spectra: spectra.step)
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add_soc_estimate(spectras)
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