Fix file reading bug in #14#16
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fortunately didn't break any existing code, but broke new code that specifies a log file other than log.txt
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After checking this again, I'm wondering if |
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I'm not clear on the proposed path forward. On one hand, "log.txt" is a great default filename, but if the worry is that we'll overwrite something that we'll need, then creating unique identifiers for each run and then cleaning them up (or not) seems like the sensible choice. |
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The worry in my comment was about reading from the wrong data. Defaulting to overwriting files with a default filename is the status quo in FlowerMD, so I'm fine with keeping that (but not opposed to changing if that's desired). What I'm worried about in this case is if somebody has a log.txt in the working directory and calls |
See #14
I forgot to parameterize the
check_pair_energyfunction in dpd_utils.py but failed to catch it since the function was reading from an old log file while I was testing. I added a test in this PR to check functionality of both creation & reading of the log files produced when a log file is specified.