CustomNonbondedForce

[florianjoerg]

Description

Implement the CustomNonbondedForce
Should be done before PRs #100 and #101, because required by them

Todos

Notable points that this PR has either accomplished or will accomplish.

• add getter and setter in residue.py
• add implementation to _extract_templates and _create_force_idx_dict in system.py
• add checks that other customnonbondedforces might not be covered!, maybe think of a way to generalize it(?) if possible

Status

• Ready to go

[codecov]

Codecov Report

Merging #102 (2b30f91) into main (7bc986e) will increase coverage by 0.83%.
The diff coverage is 88.18%.

Additional details and impacted files