35 #ifndef OPENMS_CHEMISTRY_MODIFICATIONSDB_H 36 #define OPENMS_CHEMISTRY_MODIFICATIONSDB_H 47 class ResidueModification;
87 Size getNumberOfModifications()
const;
122 bool has(
String modification)
const;
136 Size findModificationIndex(
const String& mod_name)
const;
192 void readFromOBOFile(
const String& filename);
195 void readFromUnimodXMLFile(
const String& filename);
198 void getAllSearchModifications(std::vector<String>& modifications)
const;
203 std::vector<ResidueModification*>
mods_;
209 bool residuesMatch_(
const String& residue,
char origin)
const;
A more convenient string class.
Definition: String.h:57
Definition: ResidueModification.h:103
Definition: CrossLinksDB.h:42
Representation of a modification.
Definition: ResidueModification.h:77
static ModificationsDB * getInstance()
Returns a pointer to the modifications DB (singleton)
Definition: ModificationsDB.h:74
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
database which holds all residue modifications from UniMod
Definition: ModificationsDB.h:69
TermSpecificity
Position where the modification is allowed to occur.
Definition: ResidueModification.h:96
Map< String, std::set< const ResidueModification * > > modification_names_
Stores the mappings of (unique) names to the modifications.
Definition: ModificationsDB.h:206
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:128
std::vector< ResidueModification * > mods_
Stores the modifications.
Definition: ModificationsDB.h:203
Map class based on the STL map (containing several convenience functions)
Definition: Map.h:51