46 class ResidueModification;
88 static bool isInstantiated();
93 Size getNumberOfModifications()
const;
128 bool has(
String modification)
const;
142 Size findModificationIndex(
const String& mod_name)
const;
194 void getAllSearchModifications(std::vector<String>& modifications)
const;
202 std::vector<ResidueModification*>
mods_;
208 bool residuesMatch_(
const String& residue,
char origin)
const;
242 void readFromOBOFile(
const String& filename);
245 void readFromUnimodXMLFile(
const String& filename);
A more convenient string class.
Definition: String.h:57
Definition: ResidueModification.h:102
Definition: CrossLinksDB.h:41
Representation of a modification.
Definition: ResidueModification.h:76
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
static ModificationsDB * getInstance(OpenMS::String unimod_file="CHEMISTRY/unimod.xml", OpenMS::String psimod_file="CHEMISTRY/PSI-MOD.obo", OpenMS::String xlmod_file="CHEMISTRY/XLMOD.obo")
Returns a pointer to the modifications DB (singleton)
Definition: ModificationsDB.h:77
static bool is_instantiated_
Stores whether ModificationsDB was instantiated before.
Definition: ModificationsDB.h:199
database which holds all residue modifications from UniMod
Definition: ModificationsDB.h:72
TermSpecificity
Position where the modification is allowed to occur.
Definition: ResidueModification.h:95
Map< String, std::set< const ResidueModification * > > modification_names_
Stores the mappings of (unique) names to the modifications.
Definition: ModificationsDB.h:205
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
std::vector< ResidueModification * > mods_
Stores the modifications.
Definition: ModificationsDB.h:202
Map class based on the STL map (containing several convenience functions)
Definition: Map.h:50