NuXLModificationsGenerator.h File Reference

#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/DATASTRUCTURES/ListUtils.h>
#include <OpenMS/CHEMISTRY/EmpiricalFormula.h>
#include <vector>
#include <map>
#include <set>
#include <iostream>

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Classes
struct	NuXLModificationMassesResult
struct	NuXLModificationMassesResult::MyStringLengthCompare
class	NuXLModificationsGenerator

Namespaces
	OpenMS
	Main OpenMS namespace.

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Class Documentation

OpenMS::NuXLModificationMassesResult

struct OpenMS::NuXLModificationMassesResult

Collaboration diagram for NuXLModificationMassesResult:

Class Members
typedef map< String, NucleotideFormulas >	MapSumFormulaToNucleotideFormulas
typedef set< String, MyStringLengthCompare >	NucleotideFormulas

Class Members
map< String, double >	formula2mass	empirical formula -> mass
MapSumFormulaToNucleotideFormulas	mod_combinations	empirical formula -> nucleotide formula(s) (formulas if modifications lead to ambiguities)