NWChemEx / NWChemEx/.github

Unsigned ints

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Description

The C++ APIs use unsigned integers all over the place. Python, however, does not have an easy way to declare unsigned integers. This makes auto conversions from Python to C++ painful in a number of places. Somehow we need to provide Python users nicer ways to interact with these APIs without sacrificing the non-negative guarantee the unsigned integer type provides to the C++ code.

This issue affects a number of repos, so I just put it in the .github repo. If there's a better place for it feel free to move it.

Contributor guide

Open the contributing guide

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by identifying the affected C++ APIs and the Python-to-C++ conversion points across the repositories; this issue names no files or tests. Review how current unsigned-integer arguments are exposed and determine the desired non-negative behavior for Python users. Done requires an agreed cross-repository approach and coverage for the affected APIs.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp, python
Domain
api, backend
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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