mittinatten / freesasa

C-library for calculating Solvent Accessible Surface Areas
http://freesasa.github.io/
MIT License
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heads up: removing convert_pair_to_loop() from gemmi #101

Open wojdyr opened 2 months ago

wojdyr commented 2 months ago

Hi, I replaced a gemmi function that is used here:

https://github.com/mittinatten/freesasa/blob/51a996d329bf81cc8a410944e9a8577da9ec10d8/src/cif.cc#L713-L716

with ensure_loop(). Sorry about this. This is the only github project that uses this function (from what I found in github search), so I didn't leave the old name for backward compatibility. These 4 lines can be replaced with table.ensure_loop();, or perhaps table.erase() can be used instead.