BH Molecule¶

This project provides tools to model and fit the A–X band spectra of boron hydride (BH). It began life as a set of Jupyter notebooks and has since been refactored into a Python package.

Installation¶

You can install BH Molecule locally or directly from GitHub. Both methods will make the CLI commands (bh-spectra, bh-spectra-csv, bh-spectra-plot) available in your terminal.

From a cloned repository:

pip install .

Or, fordevelopment:

pip install -e .

See the Dev Install Guide for more details.

Directly from GitHub:

pip install git+https://github.com/queezz/bh-molecule.git

After installation, try:

bh-spectra --xmin 432.8 --xmax 434.2 --points 4000 --out spectrum.npz

Quick start¶

Use the Python API:

Python example:

import numpy as np
from bh_molecule.dataio import load_v00_wavelengths
from bh_molecule.physics import BHModel

model = BHModel(load_v00_wavelengths())
x = np.linspace(432.8, 434.2, 4000)
y = model.full_fit_model(x, C=1.0, T_rot=2000, dx=0.0, w_inst=0.02)