ChromeleonFile Class Reference

Load Chromeleon HPLC text file and save it into a `MSExperiment`. More...

#include <OpenMS/FORMAT/ChromeleonFile.h>

Public Member Functions
	ChromeleonFile ()=default
	Constructor. More...
virtual	~ChromeleonFile ()=default
	Destructor. More...
void	load (const String &filename, MSExperiment &experiment) const
	Load the file's data and metadata, and save it into a `MSExperiment`. More...
double	removeCommasAndParseDouble (String &number) const
	Remove commas from the string (used as thousands separators) and parse its value. More...

Detailed Description

Load Chromeleon HPLC text file and save it into a `MSExperiment`.

An example of the expected format: > Raw Data: > Time (min) Step (s) Value (mAU) > 0.003333 0.200 -0.002496 > 0.006667 0.200 -0.017589 > ...

Constructor & Destructor Documentation

ChromeleonFile()

ChromeleonFile ( )

default

Constructor.

~ChromeleonFile()

virtual ~ChromeleonFile ( )

virtualdefault

Destructor.

Member Function Documentation

load()

void load	(	const String &	filename,
		MSExperiment &	experiment
	)		const

Load the file's data and metadata, and save it into a `MSExperiment`.

Parameters

[in]	filename	Path to the Chromeleon input file
[out]	experiment	The variable into which the extracted information will be saved

removeCommasAndParseDouble()

double removeCommasAndParseDouble

(

String &

number

)

const

Remove commas from the string (used as thousands separators) and parse its value.

Parameters

[in]

number

A string representing a floating-point number

Returns

The value converted to `double`