ModifiedPeptideGenerator.h File Reference

#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/DATASTRUCTURES/StringListUtils.h>
#include <OpenMS/CHEMISTRY/ResidueModification.h>
#include <OpenMS/CHEMISTRY/AASequence.h>
#include <vector>
#include <map>
#include <unordered_map>
#include <set>

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Classes
class	ModifiedPeptideGenerator
	Generate fixed- and variable-modification variants of an AASequence, lock-free. More...
struct	ModifiedPeptideGenerator::MapToResidueType
	Cached mapping ResidueModification* -> already-instantiated modified Residue*. More...

Namespaces
namespace	OpenMS
	Main OpenMS namespace.

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Class Documentation

OpenMS::ModifiedPeptideGenerator::MapToResidueType

struct OpenMS::ModifiedPeptideGenerator::MapToResidueType

Cached mapping ResidueModification* -> already-instantiated modified Residue*.

Built once by getModifications() (or createResidueModificationToResidueMap_()) and consumed by the apply* methods. For modifications that have no associated residue (e.g. strict "Protein N-term" without an amino-acid origin), the residue pointer is nullptr.

The wrapping struct (rather than a bare unordered_map) exists so that pyOpenMS can bind this aggregate as a single type without having to template-instantiate the map.

Collaboration diagram for ModifiedPeptideGenerator::MapToResidueType:

Class Members
unordered_map< const ResidueModification *, const Residue * >	val