dbe: Calculate Double Bond Equivalents

Description Usage Arguments Value Author(s) Examples

View source: R/formulaCalculator.R

Description

Calculates the Ring and Double Bond Equivalents for a chemical formula. The highest valence state of each atom is used, such that the returned DBE should never be below 0.

Usage

1

Arguments

formula

A molecular formula in text or list representation (e.g. "C6H12O6" or list(C=6, H=12, O=6) ).

Value

Returns the DBE for the given formula.

Author(s)

Michael Stravs

Examples

1
2
#
	dbe("C6H12O6")

RMassBank documentation built on May 31, 2017, 11:21 a.m.

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