52 lammps parsing failure #86
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@ladinesa please take a look at what I did here to improve the search for the Lammps data file. I know that the parser matching code has functionality to check the headers, but I wasn't sure if it was easy/possible to extract that for alternative use, so I just wrote my own function. |
ladinesa
reviewed
Jan 19, 2024
ladinesa
reviewed
Jan 19, 2024
ladinesa
reviewed
Jan 19, 2024
atomisticparsers/lammps/parser.py
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| ] # JFR- @Alvin Please check this - changed from [0] to [1] for case that filename is leading with log | ||
| prefix = os.path.basename(self.mainfile).rsplit(".", 1)[1] |
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i think we need error handling here in case basename does not contain .
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please check again.
ladinesa
reviewed
Jan 19, 2024
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@ladinesa Can I merge this? |
affirmative |
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