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.

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

Added alkane matching by CAS or IUPAC name #923

Merged
merged 3 commits into from
Feb 26, 2022

Conversation

Mailaender
Copy link
Contributor

This is much smarter for cases where there are already fully identified chromatograms.

@eselmeister
Copy link
Contributor

For a simple access of the RetentionIndexCalculator, I would recommend to keep the old method

public static int getAlkaneNumber(String name) {...}

and rename the new method e.g. to

public static int getAlkaneNumberEnhanced(ILibraryInformation libraryInformation) {...}

@Mailaender
Copy link
Contributor Author

Updated it to not break API.

@eselmeister eselmeister merged commit c8d2b6a into eclipse:develop Feb 26, 2022
@Mailaender Mailaender deleted the smart-cal branch February 26, 2022 16:42
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants