RII_Pandas (refractiveindex.info-pandas)

Python 3 + Pandas wrapper for the refractiveindex.info database developed by Mikhail Polyanskiy.

Pandas DataFrame creation was made with modified versions of dboperations.py from refractiveindex.info-sqlite package developed by Hugo Guillén.

Features

• Create Pandas DataFrame by parsing database files cloned from Polyanskiy's GitHub repository.
• Drude-Lorentz model (formula 21) and Brendel-Bormann model (formula 22) are available to describe metallic dielectric function.

Install

Install and update using pip

$ pip install -U riip

Install using conda

$ conda install -c mnishida riip

Development install from local build

For local member testing, prefer the Makefile target with an explicit conda environment.

make conda-install CONDA_TARGET_ENV=kkr_test

Notes:

• CONDA_TARGET_ENV is recommended to avoid installing into the active shell environment by mistake.
• The install target removes an existing riip package first, then installs from the local conda channel so dependencies are re-solved correctly.

Preferred shared environment flow

For the regular kkr development environment, create or refresh the shared base environment from environment.dev.yml, then sync local packages:

1. In any repository root: conda env update -n kkr -f environment.dev.yml --prune
2. conda activate kkr
3. In RII_Pandas: make dev-sync
4. In fmm_rcwa: make dev-sync
5. In CylKKR: make dev-sync

make dev-setup now uses environment.dev.yml as the preferred base environment definition.

For the lightweight kkr-typecheck environment:

1. make typecheck-env-setup
2. make typeckeck

Usage

>>> import riip
>>> ri = riip.RiiDataFrame()

Polyanskiy's 'refractiveindex.info database' is cloned from GitHub repository, and three csv files, 'catalog.csv', 'raw_data.csv' and 'grid_data.csv' are created. They are located in 'data' folder under the installation directory. This process may take a few minutes, but it will happen only the first time you start it after installation.

>>> ri.search("Al")                      # search material contains the string
>>> ri.select(
      "2.5 < n < 3 and 0.4 < wl < 0.8"
    )                                    # select materials that fullfill the condition
>>> print(ri.show([23, 118]))            # show catalog
>>> print(ri.read(23))                   # read the data book
>>> ri.references(23)                    # see references
>>> ri.plot(23, "n")                     # plot wavelength dependence of refractive index

>>> Al = ri.material(
  {"book": "Al", "page": "Mathewson"})   # create material with book and page
>>> Al = ri.material({"id": 23})         # create material with id number

It may not be safe to use "id" in your application importing this package. The id number may be changed when an update is done on your local database.

>>> import numpy as np
>>> wls = np.linspace(0.5, 1.6)          # wavelength from 0.5 μm to 1.6 μm
>>> Al.n(wls)                            # refractive index
>>> Al.k(wls)                            # extinction coefficient
>>> Al.eps(wls)                          # complex permittivity

For more information, see RII_Pandas User's Guide.

Update database

If refractiveindex.info database is updated, you can pull it to the local database by

>>> import riip
>>> ri = riip.RiiDataFrame()
>>> ri.update_db()

Uninstall

$ pip uninstall riip

or

$ conda uninstall riip

Dependencies

• python 3
• numpy
• scipy
• pandas
• pyyaml
• gitpython

Version

0.8.6