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OpenMS
2.5.0
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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;
219 void setTermSpecificity(TermSpecificity term_spec);
228 void setTermSpecificity(
const String& name);
231 TermSpecificity getTermSpecificity()
const;
239 String getTermSpecificityName(TermSpecificity term_spec = NUMBER_OF_TERM_SPECIFICITY)
const;
249 void setOrigin(
char origin);
252 char getOrigin()
const;
255 void setSourceClassification(
const String& classification);
258 void setSourceClassification(SourceClassification classification);
261 SourceClassification getSourceClassification()
const;
264 String getSourceClassificationName(SourceClassification classification = NUMBER_OF_SOURCE_CLASSIFICATIONS)
const;
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;
SourceClassification classification_
Definition: ResidueModification.h:368
String full_id_
Definition: ResidueModification.h:353
Definition: ResidueModification.h:117
Representation of a modification.
Definition: ResidueModification.h:76
Definition: ResidueModification.h:110
Definition: ResidueModification.h:115
EmpiricalFormula neutral_loss_diff_formula_
Definition: ResidueModification.h:384
A more convenient string class.
Definition: String.h:58
String full_name_
Definition: ResidueModification.h:360
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
Definition: ResidueModification.h:113
Definition: ResidueModification.h:111
Definition: ResidueModification.h:121
String name_
Definition: ResidueModification.h:362
Definition: ResidueModification.h:124
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
Definition: ResidueModification.h:122
Definition: ResidueModification.h:116
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
char origin_
Definition: ResidueModification.h:366
Definition: ResidueModification.h:114
TermSpecificity
Position where the modification is allowed to occur.
Definition: ResidueModification.h:95
Definition: ResidueModification.h:120
Definition: ResidueModification.h:119
SourceClassification
Classification of the modification.
Definition: ResidueModification.h:107
std::set< String > synonyms_
Definition: ResidueModification.h:382
double average_mass_
Definition: ResidueModification.h:370
String psi_mod_accession_
Definition: ResidueModification.h:355
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
String id_
Definition: ResidueModification.h:351
Definition: ResidueModification.h:118
String formula_
Definition: ResidueModification.h:378
double diff_mono_mass_
Definition: ResidueModification.h:376
double mono_mass_
Definition: ResidueModification.h:372
double neutral_loss_average_mass_
Definition: ResidueModification.h:388
double diff_average_mass_
Definition: ResidueModification.h:374
Definition: ResidueModification.h:123
Int unimod_record_id_
Definition: ResidueModification.h:358
EmpiricalFormula diff_formula_
Definition: ResidueModification.h:380
Definition: ResidueModification.h:112
double neutral_loss_mono_mass_
Definition: ResidueModification.h:386
TermSpecificity term_spec_
Definition: ResidueModification.h:364