Target is not recognized

[benhoare98]

Background

I'm currently putting together a ChemKED file for an ignition delay experiment and the experiment uses fuel concentration as the target, measured by a HeNe laser to determine ignition delay. It doesn't use a typical radical as the target, such as OH*, and therefore ChemKED doesn't validate the file and returns a not implemented error. Is there a way to express this in the file? Thanks in advance for your help!

Code sample, preferably able to be copy-pasted and run with no changes

common-properties:
species: &hept
- species-name: n-heptane
InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
ignition-type: &ign
target: *hept #ChemKED does not recognize this
type: d/dt max

Expected behavior

To successfully indicate that the target is the fuel n-heptane

Actual behavior, including any error messages

Not Implemented Error

PyKED/ChemKED version: 4.1, Python version: 3.6.7, OS version: Windows 10 Home, version 1803

[bryanwweber]

Hi! Specifying the fuel as a target is not permitted at the moment. However, this could be something we support. I'd encourage you to make a pull request to add fuel and/or *fuel as options here: https://github.com/pr-omethe-us/PyKED/blob/master/pyked/schemas/ignition_delay_schema.yaml#L9 It also doesn't make sense for the criteria to be the d/dt max for the fuel, since the fuel concentration should never be increasing. You may need to edit/add a new method to specify how ignition is determined a few lines below that too.