35 #ifndef OPENMS_CHEMISTRY_MODIFICATIONSDB_H 
   36 #define OPENMS_CHEMISTRY_MODIFICATIONSDB_H 
   46   class ResidueModification;
 
   83     Size getNumberOfModifications() 
const;
 
  114     Size findModificationIndex(
const String & mod_name) 
const;
 
  120     void getModificationsByDiffMonoMass(std::vector<String> & mods, 
DoubleReal mass, 
DoubleReal error = 0.0);
 
  123     void getModificationsByDiffMonoMass(std::vector<String> & mods, 
const String & residue, 
DoubleReal mass, 
DoubleReal error = 0.0);
 
  126     void readFromOBOFile(
const String & filename);
 
  129     void readFromUnimodXMLFile(
const String & filename);
 
  132     void getAllSearchModifications(std::vector<String> & modifications);
 
  137     std::vector<ResidueModification *> 
mods_;
 
A more convenient string class. 
Definition: String.h:56
Representation of a modification. 
Definition: ResidueModification.h:58
std::vector< ResidueModification * > mods_
stores the modifications 
Definition: ModificationsDB.h:137
static ModificationsDB * getInstance()
Definition: ModificationsDB.h:72
database which holds all residue modifications from UniMod 
Definition: ModificationsDB.h:68
Term_Specificity
Position where the modification is allowed to occur. 
Definition: ResidueModification.h:78
size_t Size
Size type e.g. used as variable which can hold result of size() 
Definition: Types.h:144
Map class based on the STL map (containing serveral convenience functions) 
Definition: Map.h:50
Map< String, std::set< const ResidueModification * > > modification_names_
stores the mappings of (unique) names to the modifications 
Definition: ModificationsDB.h:140