102 NUMBER_OF_TERM_SPECIFICITY
125 NUMBER_OF_SOURCE_CLASSIFICATIONS
160 void setId(
const String&
id);
164 const String& getId()
const;
173 void setFullId(
const String& full_id =
"");
185 const String& getFullId()
const;
188 void setUniModRecordId(
const Int&
id);
191 const Int& getUniModRecordId()
const;
194 const String getUniModAccession()
const;
197 void setPSIMODAccession(
const String&
id);
200 const String& getPSIMODAccession()
const;
203 void setFullName(
const String& full_name);
206 const String& getFullName()
const;
209 void setName(
const String& name);
212 const String& getName()
const;
228 void setTermSpecificity(
const String& name);
249 void setOrigin(
char origin);
252 char getOrigin()
const;
255 void setSourceClassification(
const String& classification);
267 void setAverageMass(
double mass);
270 double getAverageMass()
const;
273 void setMonoMass(
double mass);
276 double getMonoMass()
const;
279 void setDiffAverageMass(
double mass);
282 double getDiffAverageMass()
const;
285 void setDiffMonoMass(
double mass);
288 double getDiffMonoMass()
const;
291 void setFormula(
const String& composition);
294 const String& getFormula()
const;
303 void setSynonyms(
const std::set<String>& synonyms);
306 void addSynonym(
const String& synonym);
309 const std::set<String>& getSynonyms()
const;
318 void setNeutralLossMonoMass(
double mono_mass);
321 double getNeutralLossMonoMass()
const;
324 void setNeutralLossAverageMass(
double average_mass);
327 double getNeutralLossAverageMass()
const;
333 bool hasNeutralLoss()
const;
337 bool isUserDefined()
const;
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
EmpiricalFormula neutral_loss_diff_formula_
Definition: ResidueModification.h:384
Definition: ResidueModification.h:121
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
Definition: ResidueModification.h:120
String psi_mod_accession_
Definition: ResidueModification.h:355
Definition: ResidueModification.h:117
TermSpecificity
Position where the modification is allowed to occur.
Definition: ResidueModification.h:95
String formula_
Definition: ResidueModification.h:378
std::set< String > synonyms_
Definition: ResidueModification.h:382
Definition: ResidueModification.h:123
double neutral_loss_mono_mass_
Definition: ResidueModification.h:386
Definition: ResidueModification.h:114
double diff_average_mass_
Definition: ResidueModification.h:374
SourceClassification
Classification of the modification.
Definition: ResidueModification.h:107
double average_mass_
Definition: ResidueModification.h:370
Representation of a modification.
Definition: ResidueModification.h:76
Definition: ResidueModification.h:115
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
String name_
Definition: ResidueModification.h:362
TermSpecificity term_spec_
Definition: ResidueModification.h:364
Definition: ResidueModification.h:111
Definition: ResidueModification.h:118
char origin_
Definition: ResidueModification.h:366
String full_name_
Definition: ResidueModification.h:360
Definition: ResidueModification.h:112
Definition: ResidueModification.h:119
Definition: ResidueModification.h:116
double mono_mass_
Definition: ResidueModification.h:372
double diff_mono_mass_
Definition: ResidueModification.h:376
SourceClassification classification_
Definition: ResidueModification.h:368
Definition: ResidueModification.h:122
A more convenient string class.
Definition: String.h:58
Definition: ResidueModification.h:113
Representation of an empirical formula.
Definition: EmpiricalFormula.h:82
String id_
Definition: ResidueModification.h:351
String full_id_
Definition: ResidueModification.h:353
Definition: ResidueModification.h:110
Definition: ResidueModification.h:124
EmpiricalFormula diff_formula_
Definition: ResidueModification.h:380
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
double neutral_loss_average_mass_
Definition: ResidueModification.h:388
Int unimod_record_id_
Definition: ResidueModification.h:358