2021-03-24 Mitchell/Wagner check in

Date

Mar 24, 2021

Participants

  • @Jeffrey Wagner

  • @Josh Mitchell

Discussion topics

Item

Notes

Item

Notes

Update

  • Dev docs PR is now open for review

    • How should we pluralize technical words, both with respect to spelling (quantity → quantities) and code-blockiness (Quantitys? Quantities?)

    • Potential change:

      • ParameterAttribute Python class attributes: These correspond to the header-level XML attributes in a SMIRNOFF OFFXML. For example, the Bonds XML tag in the SMIRNOFF spec has an optional fractional_bondorder_method XML attribute, which corresponds to the line fractional_bondorder_method = ParameterAttribute(default=None) in the BondHandler Python class definition.

      • This becomes too wordy to read: Let’s stick to the existing wording until we can remove the name ParameterAttribute

    • JW reviewed and approved!

  • JM got stable label building

  •  

From last time

  • Better workflow for users to access examples (without needing to go into miniconda directories)

  • Could copy example folder(s) to current directory

  • Use the click package. Seek inspiration from openff-benchmark and openff-cli. https://github.com/openforcefield/openff-cli/

  • Thar be monsters (add user warnings about PDB format): https://github.com/openforcefield/openff-toolkit/issues/704

  • Examples (or taking a stab so we can start figuring out example standards)

  • “Search and destroy” throughout the docs, highlighting ambiguities or poorly-written sections, and possibly attempting to fix.

    • Especially “developer docs”

      • Break up into different pages?

      • Send some parts to user guide?

      • Is the writing style meaningfully legible? Should it be wordier/less wordy? more/less technical?

  • Examples (or taking a stab so we can start figuring out example standards)

  • “Search and destroy” throughout the docs, highlighting ambiguities or poorly-written sections, and possibly attempting to fix.

    • Especially “developer docs”

      • Break up into different pages?

      • Send some parts to user guide?

      • Is the writing style meaningfully legible? Should it be wordier/less wordy? more/less technical?

  • https://github.com/openforcefield/openff-toolkit/issues/755





Action items

Decisions