ENCORE uses an non existing method

[jbarnoud]

ENCORE uses an non existing method AtomGroup.get_selection_atom_string: #3479 (comment)

Ping @mtiberti and @wouterboomsma

[orbeckst]

@mtiberti @wouterboomsma could you please let us know what you had intended with this method?

[mtiberti]

Hi, sorry for the delay and thanks for noticing this - I did some digging and it is indeed a leftover of when we had our own Ensemble class. It should be fine to replace it with reference.select_atoms(select). Should I open a PR?

[orbeckst]

PR would be good. The main thing is a test that checks the code path.

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Am 3/28/22 um 00:18 schrieb Matteo Tiberti ***@***.***>:  Hi, sorry for the delay and thanks for noticing this - I did some digging and it is indeed a leftover of when we had our own Ensemble class. It should be fine to replace it with reference.select_atoms(select). Should I open a PR? — Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you commented.

[jbarnoud]

Thank you Matteo. If you find the time, it would be good if you could indeed.

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On 3/28/22 09:18, Matteo Tiberti wrote: Hi, sorry for the delay and thanks for noticing this - I did some digging and it is indeed a leftover of when we had our own |Ensemble| class. It should be fine to replace it with |reference.select_atoms(select)|. Should I open a PR? — Reply to this email directly, view it on GitHub <#3539 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AAKRNOQQMGPJZCHHS5GFGULVCFMMVANCNFSM5OURX46Q>. You are receiving this because you authored the thread.Message ID: ***@***.***>