RCM Python

Pure Python/NumPy implementation of the Ring Current Model, with a FastAPI backend and a static Plotly frontend. It contains no C++, pybind11, OpenMP, or compiled extension.

The implementation includes the MATLAB-compatible legacy and Chem. Sci. path builders, RCGF calculation, raw and interior-positive sign conventions, NMR fitting, field grids, and the rung12 MATLAB regression case.

Repository layout

src/rcm_python/     calculation engine
rcm_api.py          FastAPI application
rcm_backend_core.py Plotly figures and example case
frontend/rcm/       static browser interface
examples/rung12/    regression data
tests/              calculation and API tests
deploy/oracle/      Oracle VM service configuration

The frontend source is kept here so API and interface changes remain together. For production, frontend/rcm/ is published at michaeljirasek.com/rcm, while Oracle runs only the Python API.

Local backend

py -3.11 -m venv .venv
.\.venv\Scripts\python.exe -m pip install -U pip
.\.venv\Scripts\python.exe -m pip install -e ".[api,dev]"
.\.venv\Scripts\python.exe -m pytest
.\.venv\Scripts\python.exe -m uvicorn rcm_api:app --host 127.0.0.1 --port 8070

Open frontend/rcm/index.html through a local static server. Its local default API address is http://127.0.0.1:8070.

API

• GET /health
• GET /api/config
• POST /api/model

The backend identifier returned by the API is always python.

Deployment

Oracle deployment files are in deploy/oracle/. GitHub Actions runs the test suite on each push. The manual Deploy Oracle action becomes usable after these repository secrets are configured:

• ORACLE_HOST: public IP or hostname.
• ORACLE_USER: normally ubuntu.
• ORACLE_SSH_KEY: private deployment key.
• ORACLE_KNOWN_HOSTS: verified SSH host-key entry for the VM.

The deployment action is manual, so pushing code cannot deploy accidentally.