The thread which searches molecular formulas corresponding to m/z value. More...

Inheritance diagram for cFormulaPredictorThread:

Public Member Functions
	cFormulaPredictorThread ()
	The constructor.

void	initialize (int chargevalue, int maximumcombinedelements, bool basicformulacheck, bool advancedformulacheck, bool noratiocheck, double mzvalue, double mzerror, vector< cIonType > &selectedions, vector< string > &selectedelements, vector< cFormulaPredictorRowItem > &ionitems, bool &success, bool &terminatecomputation, string &errmsg)
	Initialize the thread. More...

Detailed Description

The thread which searches molecular formulas corresponding to m/z value.

Member Function Documentation

void cFormulaPredictorThread::initialize	(	int	chargevalue,
		int	maximumcombinedelements,
		bool	basicformulacheck,
		bool	advancedformulacheck,
		bool	noratiocheck,
		double	mzvalue,
		double	mzerror,
		vector< cIonType > &	selectedions,
		vector< string > &	selectedelements,
		vector< cFormulaPredictorRowItem > &	ionitems,
		bool &	success,
		bool &	terminatecomputation,
		string &	errmsg
	)

Initialize the thread.

Parameters

chargevalue	charge
maximumcombinedelements	maximum number of combined chemical elements
basicformulacheck	basic filtering rules
advancedformulacheck	advanced filtering rules
noratiocheck	enable N/O rule
mzvalue	experimental m/z value
mzerror	m/z error
selectedions	input list of selected ions
selectedelements	input list of selected elements
ionitems	output list of ions
success	true if the calculation was successful
terminatecomputation	reference to a variable determining that the thread must be stopped
errmsg	an error message

The documentation for this class was generated from the following files: