OpenMS
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]filenamePath to the Chromeleon input file
[out]experimentThe 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]numberA string representing a floating-point number
Returns
The value converted to `double`