Allow generate_dipeptide_top_pos_sys to accept demap_CBs

[zhang-ivy]

Description

This PR piggy backs off of #860, where I forgot to allow demap_CBs to be passed to generate_dipeptide_top_pos_sys.

Motivation and context

This is necessary because to enable generating protein mutation test systems with demapped CBs.

How has this been tested?

Change log

[zhang-ivy]

@mikemhenry @ijpulidos : could you review and merge?

[ijpulidos]

Ah! good catch. This looks just fine. Thanks!

[ijpulidos]

@zhang-ivy This might be for another issue/PR, but just wondering if we have tests for this case. Such as a test that requires demap_CBs=True for it to pass. Thoughts? (I guess it is related to the #845 , maybe we can engineer some test around that case).

[codecov]

Codecov Report

Merging #892 (e82e60b) into master (64da9aa) will decrease coverage by 0.94%.
The diff coverage is 100.00%.

[zhang-ivy]

@zhang-ivy This might be for another issue/PR, but just wondering if we have tests for this case. Such as a test that requires demap_CBs=True for it to pass. Thoughts? (I guess it is related to the #845 , maybe we can engineer some test around that case).

Yes, it couldn't hurt to have another test that checks whether demap_CBs actually demaps the CBs. Would you want to take a stab at this? It should be something like this: choderalab -- but would just have to change the reference map to not include CBs.