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ord-interface

Backend and frontend code for the ORD search interface.

Installation

$ git clone git@github.com:open-reaction-database/ord-interface.git
$ cd ord-interface
$ pip install -e .

To build and launch the interface (available at http://localhost:5001):

$ cd ord_interface
$ ./build_test_database.sh
$ docker build --file Dockerfile -t openreactiondatabase/ord-interface ..
$ docker compose up

Development

To start a Flask server in development mode:

$ cd ord_interface
$ ./build_test_database.sh
# Start the database backend.
$ docker run -d -p 5432:5432 openreactiondatabase/ord-postgres:test
# Start the development server.
$ POSTGRES_USER=postgres POSTGRES_PASSWORD=postgres FLASK_APP=interface.py FLASK_ENV=development python -m flask run

Vue App

cd app

In the ./app directory, you can run:

Initialize app npm i

Install the necessary npm packages for the vue app. Download https://github.com/epam/ketcher/releases/download/v2.5.1/ketcher-standalone-2.5.1.zip and extract the files into ./app/src/ketcher/

npm run serve

Runs the app in the development mode. Open http://localhost:8080 to view it in your browser. The vue app depends on the flask app api running on port 5000 (see the Development instructions for the flask app above)

The page will reload when you make changes. You may also see any lint errors in the console.

npm run build

Builds the app for production to the dist folder.\