35 #ifndef OPENMS_CHEMISTRY_RESIDUEDB_H 
   36 #define OPENMS_CHEMISTRY_RESIDUEDB_H 
   46   class ResidueModification;
 
   92     Size getNumberOfResidues() 
const;
 
   95     Size getNumberOfModifiedResidues() 
const;
 
  122     const std::set<const Residue *> getResidues(
const String & residue_set = 
"All") 
const;
 
  125     const std::set<String> & getResidueSets() 
const;
 
  128     void setResidues(
const String & filename);
 
  131     void addResidue(
const Residue & residue);
 
  137     bool hasResidue(
const String & name) 
const;
 
  141     bool hasResidue(
const Residue * residue) 
const;
 
  176     void readResiduesFromFile_(
const String & filename);
 
  185     void clearResidues_();
 
  188     void buildResidueNames_();
 
  190     void addResidue_(
Residue * residue);
 
ResidueConstIterator beginResidue() const 
Definition: ResidueDB.h:151
A more convenient string class. 
Definition: String.h:56
Map< String, std::set< const Residue * > > residues_by_set_
Definition: ResidueDB.h:204
Representation of a residue. 
Definition: Residue.h:64
std::set< const Residue * > const_residues_
Definition: ResidueDB.h:198
Map< String, Map< String, Residue * > > residue_mod_names_
Definition: ResidueDB.h:194
static ResidueDB * getInstance()
this member function serves as a replacement of the constructor 
Definition: ResidueDB.h:72
std::set< Residue * > residues_
Definition: ResidueDB.h:196
std::set< const Residue * >::const_iterator ResidueConstIterator
Definition: ResidueDB.h:68
ResidueIterator endResidue()
Definition: ResidueDB.h:149
std::set< const Residue * > const_modified_residues_
Definition: ResidueDB.h:202
std::set< Residue * >::iterator ResidueIterator
Definition: ResidueDB.h:67
residue data base which holds residues 
Definition: ResidueDB.h:60
size_t Size
Size type e.g. used as variable which can hold result of size() 
Definition: Types.h:144
std::set< String > residue_sets_
Definition: ResidueDB.h:206
ResidueConstIterator endResidue() const 
Definition: ResidueDB.h:153
Map< String, Residue * > residue_names_
Definition: ResidueDB.h:192
std::set< Residue * > modified_residues_
Definition: ResidueDB.h:200
Map class based on the STL map (containing serveral convenience functions) 
Definition: Map.h:50
ResidueIterator beginResidue()
Definition: ResidueDB.h:147