Remove broken charge file

This commit is contained in:
Carl Philipp Klemm
2024-10-28 16:20:23 +01:00
parent 31444f919e
commit 96b143dc24
6 changed files with 28124 additions and 19089 deletions

View File

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