3.3 Working with Molecular PAH Properties

The ‘species’-instance exposes the molecular PAH properties (currently work-in-progress).

The below code snippets are examples only of the work-in-progress ‘AmesPAHdbPythonSuite Species’ module.

pahs = pahdb.getspeciesbyuid(pahdb.search("c<=20 neutral n=2 neutral"))

The ‘species’-instance’s ‘print’-method will print out the associated molecular properties for each PAH species.

pahs.print()

Optionally, the ‘str’-keyword can be given to the ‘print’-method, which will return the molecular PAH properties for each species as an array of strings.

pahs.print(str=True)