AmesPAHdbPythonSuite

The AmesPAHdbPythonSuite is a package to work with a downloaded PAHdb XML-file.

A Python module to work with a downloaded PAHdb XML-file.

Requirements

This software requires:

numpy astropy lxml matplotlib scipy packaging specutils vtk

Installation

Using pip

The AmesPAHdbPythonSuite can be directly installed from its repository using pip:

pip install git+git://github.com/PAHdb/AmesPAHdbPythonSuite.git

From source

Alternatively the AmesPAHdbPythonSuite can be cloned and then installed:

git clone https://github.com/PAHdb/AmesPAHdbPythonSuite.git

Then change directories to the new AmesPAHdbPythonSuite directory and install:

pip install -e .

Examples

from pkg_resources import resource_filename
from amespahdbpythonsuite.amespahdb import AmesPAHdb

# Read the database.
xml = 'resources/pahdb-theoretical_cutdown.xml'
pahdb = AmesPAHdb(filename=resource_filename('amespahdbpythonsuite', xml),
                  check=False, cache=False)

# Retrieve the transitions from the database for coronene.
transitions = pahdb.gettransitionsbyuid([18])

# Plot the emission 'stick' spectrum.
transitions.plot(show=True)

# Calculate the emission spectrum at the temperature reached
# after absorbing a 6 eV (CGS units) photon.
transitions.cascade(6 * 1.603e-12, multiprocessing=False)

# Plot the emission 'stick' spectrum at that temperature.
transitions.plot(show=True)

# Convolve the bands with a Gaussian with FWHM of 15 /cm.
convolved = transitions.convolve(fwhm=15.0, gaussian=True,
                                 multiprocessing=False)
convolved.plot(show=True)

More examples can be found in the examples-directory.

Background

The NASA Ames PAH IR Spectroscopic Database and the AmesPAHdbPythonSuite are being supported through a directed Work Package at NASA Ames titled: "Laboratory Astrophysics – The NASA Ames PAH IR Spectroscopic Database".

Additional information can be found at the NASA Ames PAH IR Spectroscopic Database website, which is located at www.astrochemistry.org/pahdb/.

You are kindly asked to consider the following references for citation when using the AmesPAHdbPythonSuite:

C.W. Bauschlicher, Jr., A. Ricca, C. Boersma, and L.J. Allamandola, "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 3.00 WITH UPDATED CONTENT AND THE INTRODUCTION OF MULTIPLE SCALING FACTORS", The Astrophysical Journal Supplement Series, 234, 32, 2018 https://doi.org/10.3847/1538-4365/aaa019
C. Boersma, C.W. Bauschlicher, Jr., A. Ricca, A.L. Mattioda, J. Cami, E. Peeters, F. Sanchez de Armas, G. Puerta Saborido, D.M. Hudgins, and L.J. Allamandola, "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEBSITE AND ON/OFFLINE TOOLS", The Astrophysical Journal Supplement Series,, 211, 8, 2014 https://doi.org/10.1088/0067-0049/211/1/8
Mattioda, A. L., Hudgins, D. M., Boersma, C., Ricca, A., Peeters, E., Cami, J., Sanchez de Armas, F., Puerta Saborido, G., Bauschlicher, C. W., J., and Allamandola, L. J. "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: THE LABORATORY SPECTRA", The Astrophysical Journal Supplement Series, 251, 22, 2020, https://doi.org/10.3847/1538-4365/abc2c8

Contributing

Please read CONTRIBUTING.md for details on the code of conduct, and the process for submitting pull requests.

Versioning

For the versions available, see the tags on this repository.

Authors

Christiaan Boersma - Initial work - PAHdb
Alexandros Maragkoudakis - Initial work - PAHdb
Matthew J. Shannon - Initial work - PAHdb
Joseph E. Roser - Boundary Edge Code - Astrophysics & Astrochemistry Laboratory

See also the list of contributors who participated in this project.

License

This project is licensed under the BSD 3-Clause License - see the LICENSE file for details

Acknowledgments

The NASA Ames PAH IR Spectroscopic Database Team - www.astrochemistry.org/pahdb/
The Astrophysics & Astrochemistry Laboratory at NASA Ames Research Center - www.astrochemistry.org

PAHdb / AmesPAHdbPythonSuite