3.4 Working with fundamental vibrational transitions

The ‘transitions’-instance exposes the fundamental vibrational transitions.

transitions = pahdb.gettransitionsbyuid(pahdb.search("c<=20 neutral n=2 neutral"))

The ‘transitions’-instance’s ‘print’-method will print out the associated fundamental vibrational transitions for each PAH species.

transitions.print()

Optionally, the ‘str’-keyword can be given to the ‘print’-method, which will return the associated fundamental vibrational transitions for each PAH species as a single, concatenated string.

myStr = transitions.print(str=True)

The ‘transitions’-instance’s ‘plot’-method will display the fundamental vibrational transitions in a ‘stick’-plot. The transitions of each PAH species will be presented in a different color. The ‘show’ keyword will display the plot on screen, while the ‘outfile’ keyword will save figure to file.

transitions.plot(show=True)
transitions.plot(outfile='myPlot')

Optionally, the ‘wavelength’, ‘stick’, ‘oplot’, ‘legend’, and ‘color’-keywords can be given to the ‘Plot’-method to control the abscissa, stick representation, overplotting, legend and color, respectively (work-in-progress).

transitions.plot(wavelength=True, color='blue', show=True)

The ‘transitions’-instance’s ‘write’-method will write the fundamental vibrational transitions to file. The transitions of each PAH species will be written to a IPAC table (.tbl). Optionally, a filename can be provided (work-in-progress).

transitions.write(myFile)