nplinker-webapp

The NPLinker web app, built with Plotly Dash, for visualizing NPLinker predictions

https://github.com/nplinker/nplinker-webapp

Science Score: 44.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • CITATION.cff file
    Found CITATION.cff file
  • codemeta.json file
    Found codemeta.json file
  • .zenodo.json file
    Found .zenodo.json file
  • DOI references
  • Academic publication links
  • Academic email domains
  • Institutional organization owner
  • JOSS paper metadata
  • Scientific vocabulary similarity
    Low similarity (17.5%) to scientific vocabulary

Keywords

dashboard genomics metabolomics
Last synced: 4 months ago · JSON representation ·

Repository

The NPLinker web app, built with Plotly Dash, for visualizing NPLinker predictions

Basic Info
  • Host: GitHub
  • Owner: NPLinker
  • License: apache-2.0
  • Language: Python
  • Default Branch: main
  • Homepage:
  • Size: 2.96 MB
Statistics
  • Stars: 4
  • Watchers: 2
  • Forks: 2
  • Open Issues: 19
  • Releases: 6
Topics
dashboard genomics metabolomics
Created over 3 years ago · Last pushed 8 months ago
Metadata Files
Readme Contributing License Code of conduct Citation

README.dev.md

nplinker webapp developer documentation

If you're looking for user documentation, go here.

Code editor

The VS Code Profile for this project is vscode/nplinker.code-profile, which contains the settings, extensions and snippets for the project. To use the profile, you must first import it by clicking the following menus: Code -> Settings -> Profiles -> Import Profile.... Then select the file vscode/nplinker.code-profile to import the profile. VS Code will take a while to install the extensions and apply the settings. Want more info? See vscode profiles guide.

If you want to add more settings, you can update the workspace settings, see the guide for more info.

Setup

We use Python 3.10 for development.

```shell

Create a virtual environment, e.g. with

python3.10 -m venv venv

activate virtual environment

source venv/bin/activate # On Windows: venv\Scripts\activate

make sure to have a recent version of pip and setuptools

python -m pip install --upgrade pip setuptools

install all dependencies (including development dependencies)

pip install -e ".[dev]"

```

Running the tests

```shell pytest

or

pytest tests ```

Test coverage

In addition to just running the tests to see if they pass, they can be used for coverage statistics, i.e. to determine how much of the webapp's code is actually executed during tests. In an activated virtual environment with the development tools installed, inside the webapp's directory, run:

shell coverage run

This runs tests and stores the result in a .coverage file. To see the results on the command line, run

shell coverage report

coverage can also generate output in HTML and other formats; see coverage help for more information.

Linting and formatting

We use ruff for linting, sorting imports and formatting code. The configurations of ruff are set in ruff.toml file.

Running the linters and formatters requires an activated virtual environment with the development tools installed.

```shell

Lint all files in the current directory.

ruff check .

Lint all files in the current directory, and fix any fixable errors.

ruff check . --fix

Format all files in the current directory

ruff format .

Format a single python file

ruff format filename.py ```

Static typing

We use inline type annotation for static typing rather than stub files (i.e. .pyi files).

By default, we use from __future__ import annotations at module level to stop evaluating annotations at function definition time (see PEP 563), which would solve most of compatibility issues between different Python versions. Make sure you're aware of the caveats.

We use Mypy as static type checker:

```

run mypy (already installed as a dev dependency)

mypy path-to-source-code ```

Mypy configurations are set in mypy.ini file.

For more info about static typing and mypy, see: - Static typing with Python - Mypy doc

Branching workflow

We use a Git Flow-inspired branching workflow for development. This repository is based on two main branches with infinite lifetime:

  • main — this branch contains production (stable) code. All development code is merged into main in sometime.
  • dev — this branch contains pre-production code. When the features are finished then they are merged into dev.

During the development cycle, three main supporting branches are used:

  • Feature branches - Branches that branch off from dev and must merge into dev: used to develop new features for the upcoming releases.
  • Hotfix branches - Branches that branch off from main and must merge into main and dev: necessary to act immediately upon an undesired status of main.
  • Release branches - Branches that branch off from dev and must merge into main and dev: support preparation of a new production release. They allow many minor bug to be fixed and preparation of meta-data for a release.

GitHub release

  1. Make sure you have all required developers tools installed pip install -e .'[dev]'.
  2. Create a release- branch from main (if there has been an hotfix) or dev (regular new production release).
  3. Prepare the branch for release by ensuring all tests pass (pytest -v), and that linting (ruff check), formatting (ruff format --check) and static typing (mypy app tests) rules are adhered to.
  4. Merge the release branch into dev.
  5. Make sure that the debug mode in the app/main.py file is set to False. Merge the release branch into main and delete the release branch.
  6. On the Releases page:
    1. Click "Draft a new release"
    2. By convention, use v<version number> as both the release title and as a tag for the release. Decide on the version level increase, following semantic versioning conventions (MAJOR.MINOR.PATCH).
    3. Click "Generate release notes" to automatically load release notes from merged PRs since the last release.
    4. Adjust the notes as required.
    5. Ensure that "Set as latest release" is checked and that both other boxes are unchecked.
    6. Hit "Publish release".
      • This will automatically trigger a GitHub workflow that will take care of updating the version number in the relevant files and publishing the image of the dashboard to the GitHub Container Registry.

Owner

  • Name: NPLinker
  • Login: NPLinker
  • Kind: organization

Natural product (NP) genome and metabolome mining

Citation (CITATION.cff)

# YAML 1.2
---
cff-version: "1.1.0"
title: "NPLinker Webapp"
doi: "10.5281/zenodo.6875502"
version: "2.0.0"
message: "If you use this software, please cite it using these metadata."
repository-code: "https://github.com/NPLinker/nplinker-webapp"
license: Apache-2.0
keywords:
  - Genome
  - Metabolome
  - Natural Products
  - Data Mining
  - Webapp
authors:
  - given-names: Cunliang
    family-names: Geng
    affiliation: "Netherlands eScience Center"
    orcid: "https://orcid.org/0000-0002-1409-8358"
  - given-names: Giulia
    family-names: Crocioni
    affiliation: "Netherlands eScience Center"
    orcid: "https://orcid.org/0000-0002-0823-0121"
  - given-names: Simon
    family-names: Rogers
  - given-names: Andrew
    family-names: Ramsay
  - given-names: Katherine
    family-names: Duncan
  - given-names: Justin
    family-names: van
  - given-names: Grímur
    family-names: Hjörleifsson
  - given-names: Sylvia
    family-names: Soldatou
  - given-names: Florian
    family-names: Huber
  - given-names: Joe
    family-names: Wandy
  - given-names: Ronan
    family-names: Daly
  - given-names: Joris
    family-names: Louwen
  - given-names: Marnix
    family-names: Medema

GitHub Events

Total
  • Create event: 27
  • Release event: 14
  • Issues event: 22
  • Watch event: 1
  • Delete event: 22
  • Issue comment event: 102
  • Push event: 135
  • Pull request review comment event: 15
  • Pull request event: 29
  • Pull request review event: 20
Last Year
  • Create event: 27
  • Release event: 14
  • Issues event: 22
  • Watch event: 1
  • Delete event: 22
  • Issue comment event: 102
  • Push event: 135
  • Pull request review comment event: 15
  • Pull request event: 29
  • Pull request review event: 20

Issues and Pull Requests

Last synced: 4 months ago

All Time
  • Total issues: 13
  • Total pull requests: 15
  • Average time to close issues: 3 months
  • Average time to close pull requests: 3 days
  • Total issue authors: 1
  • Total pull request authors: 1
  • Average comments per issue: 0.38
  • Average comments per pull request: 1.13
  • Merged pull requests: 13
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 12
  • Pull requests: 15
  • Average time to close issues: 2 months
  • Average time to close pull requests: 3 days
  • Issue authors: 1
  • Pull request authors: 1
  • Average comments per issue: 0.42
  • Average comments per pull request: 1.13
  • Merged pull requests: 13
  • Bot issues: 0
  • Bot pull requests: 0
Top Authors
Issue Authors
  • gcroci2 (23)
  • ialas (1)
  • andrewramsay (1)
Pull Request Authors
  • gcroci2 (26)
Top Labels
Issue Labels
dashboard (18) priority (5) documentation (1)
Pull Request Labels
dashboard (3)

Dependencies

requirements.dev.txt pypi
  • autoflake * development
  • bump2version * development
  • isort * development
  • prospector * development
  • yapf * development
requirements.txt pypi
  • bokeh *
  • natsort *
  • nplinker *
.github/workflows/cffconvert.yml actions
  • actions/checkout v3 composite
  • citation-file-format/cffconvert-github-action main composite
.github/workflows/lint.yml actions
  • actions/checkout v4 composite
  • tj-actions/changed-files v44 composite
.github/workflows/markdown-link-check.yml actions
  • actions/checkout v3 composite
  • gaurav-nelson/github-action-markdown-link-check v1 composite
.github/workflows/test.yml actions
  • actions/checkout v4 composite
  • actions/setup-python v3 composite