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

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

This software requires:

numpy astropy lxml matplotlib scipy packaging specutils vtk

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

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

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 .

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.

Since FY19 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".

Since FY23 the NASA Ames PAH IR Spectroscopic Database and the AmesPAHdbPythonSuite are being supported through the Laboratory Astrophysics Round 2 directed Work Package at NASA Ames.

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

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

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

• 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.

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

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