NuXLModificationsGenerator.h File Reference

#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/DATASTRUCTURES/StringUtils.h>
#include <OpenMS/DATASTRUCTURES/TypeAliases.h>
#include <OpenMS/CHEMISTRY/EmpiricalFormula.h>
#include <vector>
#include <map>
#include <set>
#include <iostream>
#include <iterator>

Go to the source code of this file.

Classes
struct	NuXLModificationMassesResult
	Result of NuXLModificationsGenerator::initModificationMassesNA — empirical formulas with their monoisotopic mass and the disambiguating nucleotide-composition lookup. More...
struct	NuXLModificationMassesResult::MyStringLengthCompare
	Comparator that orders strings primarily by length (shortest first) and lexicographically within the same length. More...
struct	NuXLModificationMassesResult::PrecursorAdduct
	Sum formula and precursor adduct (nucleotide composition) returned by findPrecursorAdduct. More...
class	NuXLModificationsGenerator
	Enumerator of precursor-adduct masses for NuXL cross-link searches. More...

Namespaces
namespace	OpenMS
	Main OpenMS namespace.

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Class Documentation

OpenMS::NuXLModificationMassesResult::PrecursorAdduct

struct OpenMS::NuXLModificationMassesResult::PrecursorAdduct

Sum formula and precursor adduct (nucleotide composition) returned by findPrecursorAdduct.

Class Members
const string *	adduct = nullptr	Entry in the set of nucleotide compositions with that sum formula, nullptr if not found.
const string *	sum_formula = nullptr	Key in mod_combinations, nullptr if not found.