get molweight without rounding off

[epbpo]

I need a method that can retrun mol weight with decimal without rounded mass

[thsa]

getMolWeight() of ExtendedMolecule returns the rounded int mol weight new MolecularFormula(mol).getAbsoluteWeight() or getRelativeWeight() give you the exact weight, either mix of natural abundance or from the most abundant isomers

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________________________________ Von: epbpo ***@***.***> Gesendet: Donnerstag, 18. Mai 2023 17:12 An: Actelion/openchemlib ***@***.***> Cc: Subscribed ***@***.***> Betreff: [Actelion/openchemlib] get molweight without rounding off (Issue #93) I need a method that can retrun mol weight with decimal without rounded mass — Reply to this email directly, view it on GitHub<#93>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/ACNFEBQB5SFWDWCVY22EYK3XGY35NANCNFSM6AAAAAAYGS4QTI>. You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

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