clean up column names #802
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shihchengli
approved these changes
Apr 18, 2024
am2145
approved these changes
Apr 18, 2024
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I introduced a bug where having a splits column wasn't accounted for in get column names. I also saw it was missing the weights column so added that. And generally tried to make the code more concise. Note that if there is no header row, it doesn't make sense to use any of the column CLI args (--smiles-columns, etc.) because there are no headers to reference.