Update __main__.py #522
Update __main__.py #522
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changed default structgen pathway in main
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| # Main function | ||
| # @param args Argument namespace | ||
| def main(args=None): | ||
| # issue a call to test TF, this is needed to keep |
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AI about 8 hours ago
In general, the way to fix commented-out code is to either (a) fully reinstate it as active code and ensure that it works and is tested, or (b) remove it entirely so the surrounding code is clear and maintainable. If you want to preserve the idea for future reference, use proper documentation (e.g., comments in prose, docs, or issue tracker) rather than keeping dead code in-line.
For this specific case in molSimplify/__main__.py, the best fix that does not change current functionality is to remove the commented-out elif 'chainb' in args: and elif 'autocorr' in args: blocks (lines 505–510). Since they are commented, they have no runtime effect now; deleting them only improves readability. No new imports or helpers are needed, and no other lines need to be adjusted, as the surrounding if/elif/else structure remains intact and syntactically valid.
Concretely:
- In
main’s help-handling section (if '-h' in args ...), delete the four commented lines 505–510. - Leave all other branches (
advanced,slabgen,db,inputgen, etc.) unchanged.
| @@ -502,12 +502,6 @@ | ||
| if 'slabgen' in args: | ||
| parser = argparse.ArgumentParser(description=DescString_slabgen) | ||
| parseinputs_slabgen(parser) | ||
| # elif 'chainb' in args: | ||
| # parser = argparse.ArgumentParser(description=DescString_chainb) | ||
| # parseinputs_chainb(parser) | ||
| # elif 'autocorr' in args: | ||
| # parser = argparse.ArgumentParser(description=DescString_autocorr) | ||
| # parseinputs_autocorr(parser) | ||
| elif 'db' in args: | ||
| parser = argparse.ArgumentParser(description=DescString_db) | ||
| parseinputs_db(parser) |
changed default structgen pathway in main