IsoSpecWrapper.h File Reference

#include <vector>
#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/CONCEPT/Constants.h>
#include <OpenMS/CONCEPT/Exception.h>
#include <OpenMS/KERNEL/Peak1D.h>
#include <OpenMS/CHEMISTRY/EmpiricalFormula.h>
#include <OpenMS/CHEMISTRY/ISOTOPEDISTRIBUTION/IsotopeDistribution.h>
#include <OpenMS/../../thirdparty/IsoSpec/IsoSpec/isoSpec++.h>

Include dependency graph for IsoSpecWrapper.h:

Go to the source code of this file.

Classes
class	IsoSpecGeneratorWrapper
	Interface for the IsoSpec algorithm - a generator of infinitely-resolved theoretical spectra. More...
class	IsoSpecWrapper
	A convenience class for the IsoSpec algorithm - easier to use than the IsoSpecGeneratorWrapper classes. More...
class	IsoSpecTotalProbGeneratorWrapper
	Generate a p-set of configurations for a given p (that is, a set of configurations such that their probabilities sum up to p). The p in normal usage will usually be close to 1 (e.g. 0.99). More...
class	IsoSpecThresholdGeneratorWrapper
	Provides a threshold-based generator of isotopologues: generates all isotopologues more probable than a given probability threshold. More...
class	IsoSpecOrderedGeneratorWrapper
	Generate the stream of configurations, ordered from most likely to least likely. More...
class	IsoSpecTotalProbWrapper
	Create a p-set of configurations for a given p (that is, a set of configurations such that their probabilities sum up to p). The p in normal usage will usually be close to 1 (e.g. 0.99). More...
class	IsoSpecThresholdWrapper
	A non-generator version of IsoSpecThresholdGeneratorWrapper. More...

Namespaces
	OpenMS
	Main OpenMS namespace.

Macros
#define	ISOSPEC_GOT_SYSTEM_MMAN   false
#define	ISOSPEC_GOT_MMAN   false
#define	ISOSPEC_BUILDING_OPENMS   true

Macro Definition Documentation

ISOSPEC_BUILDING_OPENMS

#define ISOSPEC_BUILDING_OPENMS   true

ISOSPEC_GOT_MMAN

#define ISOSPEC_GOT_MMAN   false

ISOSPEC_GOT_SYSTEM_MMAN

#define ISOSPEC_GOT_SYSTEM_MMAN   false