Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Need to validate equivalence ratio in ignition delay cases #105

Closed
bryanwweber opened this issue Dec 11, 2017 · 2 comments
Closed

Need to validate equivalence ratio in ignition delay cases #105

bryanwweber opened this issue Dec 11, 2017 · 2 comments

Comments

@bryanwweber
Copy link
Member

Need to use the given composition for the ignition delay data point to calculate the equivalence ratio and validate that the given value (if present) is correct.

To do so, need to convert InChI or SMILES to molecular formula. Can use a regex to get molecular formula from InChI, but SMILES will be a little harder. @rwest is thinking about this
@bryanwweber
Copy link
Member Author

Related to #23

@bryanwweber
Copy link
Member Author

This turns out to be not so easy... for instance, what is a fuel and what is an oxidizer? I don't want to force people to include specifications saying "This is a fuel, this is an oxidizer"

@bryanwweber bryanwweber closed this as not planned Won't fix, can't repro, duplicate, stale Feb 5, 2024
This issue was closed.
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@bryanwweber