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Formula Module

Contains functionality for working with molecules as a formula of their elements and formulas of biologically relevant molecules

Types and nested modules

Type/Module Description

Table

Contains formulas for amino acids, nucleotides and biologically relevant anorganic molecules

Formula

Type abreviation for Map

Functions and values

Function or value Description

add f1 f2

Full Usage: add f1 f2

Parameters:
Returns: Formula

adds two formula

f1 : Formula
f2 : Formula
Returns: Formula

averageMass f

Full Usage: averageMass f

Parameters:
Returns: float

Returns average mass of sum formula

f : Formula
Returns: float

contains ele f

Full Usage: contains ele f

Parameters:
Returns: bool

Retruns true if the formula contains the element of interest.

ele : Element
f : Formula
Returns: bool

count ele f

Full Usage: count ele f

Parameters:
Returns: float

Returns the number of occurences of the element of interest.

ele : Element
f : Formula
Returns: float

countBySym eleSym f

Full Usage: countBySym eleSym f

Parameters:
Returns: float

Returns the number of occurences of the element with the given symbolic representation.

eleSym : string
f : Formula
Returns: float

emptyFormula

Full Usage: emptyFormula

Returns: Formula

Empty formula

Returns: Formula

monoisoMass f

Full Usage: monoisoMass f

Parameters:
Returns: float

Returns monoisotopic mass of sum formula

f : Formula
Returns: float

parseFormulaString strFormula

Full Usage: parseFormulaString strFormula

Parameters:
    strFormula : string

Returns: Formula

Parse formula string and returns formula type

strFormula : string
Returns: Formula

replaceElement f unlabled labled

Full Usage: replaceElement f unlabled labled

Parameters:
Returns: Formula

Lables all elements of a certain kind within a formula

f : Formula
unlabled : Element
labled : Element
Returns: Formula

replaceNumberOfElement f unlabled labled number

Full Usage: replaceNumberOfElement f unlabled labled number

Parameters:
Returns: Formula

Lables a given number of elements of a certain kind within a formula

f : Formula
unlabled : Element
labled : Element
number : float
Returns: Formula

substract f1 f2

Full Usage: substract f1 f2

Parameters:
Returns: Formula

substracts f1 from f2

f1 : Formula
f2 : Formula
Returns: Formula

toString f

Full Usage: toString f

Parameters:
Returns: string

Returns Formula as string

f : Formula
Returns: string

Type something to start searching.