Sounds like a great way to go to me … simple and clear. From: John Mayfield <[email protected]> Sent: Thursday, 14 February 2019 11:02 AM To: Stesycki, Manuel <[email protected]> Cc: [email protected] Subject: Re: [Cdk-user] Tow problems about the calculation of molecular weight
As an aside we are thinking of simplifying this to a single API point getMass(mol, opt) where the option lets you choose what you want. The existing API points will still be valid but defer to this method. John
_______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
