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add developer guide #268

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GeorgWa
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@GeorgWa GeorgWa commented Jan 8, 2025

Hi all,
I think there are some patterns in AlphaBase which have been introduced by Feng and evolved with me and Magnus joining. I think we should formalize them a bit with more developers joining.
This is just a first version and most likely not comprehensive.

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@jalew188 jalew188 left a comment

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Thank you Georg, you did a lot on aB, PeptDeep and aDIA

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@mschwoer mschwoer left a comment

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nice! some of them should make it to a broader audience

Avoid making assumptions about:
- Precursor ordering by `nAA`
- Fragment indices ordering (e.g., `frag_start_idx`)
- Continuity of `frag_start_idx` where `frag_start_idx[i+1] = frag_stop_idx[i]`
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(nit) - Continuity of frag_start_idx, i.e. frag_start_idx[i+1] == frag_stop_idx[i]


#### 4. Code Quality
- Include type hints for all functions (see [numpy docstring example](https://www.sphinx-doc.org/en/master/usage/extensions/example_numpy.html#example-numpy))
- Include python type hints
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what do you mean exactly here?

[alphashared](https://github.com/MannLabs/alphashared) repository. Please see the instructions
[there](https://github.com/MannLabs/alphashared/blob/reusable-release-workflow/.github/workflows/README.md#release-a-new-version).


------------------------------------------------------------------------

## Changelog
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as you are already on that: ```
For a full overview of the changes made in each version see CHANGELOG.md (until version 1.1.0) and the github release notes (from >1.1.0).


#### pre-commit hooks
#### 1. Code Structure
While AlphaBase offers an object-oriented interface, implement algorithms for manipulating data in a functional way and call them from class methods.
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.. to be able to reuse them without instantiating a class.

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3 participants