35 #ifndef OPENMS_FORMAT_MZTAB_H 36 #define OPENMS_FORMAT_MZTAB_H 46 #pragma clang diagnostic push 47 #pragma clang diagnostic ignored "-Wnon-virtual-dtor" 73 virtual bool isNull()
const = 0;
74 virtual void setNull(
bool b) = 0;
75 virtual String toCellString()
const = 0;
76 virtual void fromCellString(
const String&) = 0;
85 virtual bool isNaN()
const = 0;
86 virtual void setNaN() = 0;
87 virtual bool isInf()
const = 0;
88 virtual void setInf() = 0;
102 void setNull(
bool b);
119 void setNull(
bool b);
143 void set(
const double& value);
147 String toCellString()
const;
149 void fromCellString(
const String& s);
165 void setNull(
bool b);
167 String toCellString()
const;
169 void fromCellString(
const String& s);
171 std::vector<MzTabDouble>
get()
const;
173 void set(
const std::vector<MzTabDouble>& entries);
189 void set(
const Int& value);
193 String toCellString()
const;
195 void fromCellString(
const String& s);
209 void setNull(
bool b);
211 String toCellString()
const;
213 void fromCellString(
const String& s);
215 std::vector<MzTabInteger>
get()
const;
217 void set(
const std::vector<MzTabInteger>& entries);
233 void set(
const bool& value);
237 String toCellString()
const;
239 void fromCellString(
const String& s);
255 void set(
const String& value);
261 void setNull(
bool b);
263 String toCellString()
const;
265 void fromCellString(
const String& s);
281 void setNull(
bool b);
283 void setCVLabel(
const String& CV_label);
285 void setAccession(
const String& accession);
287 void setName(
const String& name);
289 void setValue(
const String& value);
291 String getCVLabel()
const;
293 String getAccession()
const;
299 String toCellString()
const;
301 void fromCellString(
const String& s);
319 void setNull(
bool b);
321 String toCellString()
const;
323 void fromCellString(
const String& s);
325 std::vector<MzTabParameter>
get()
const;
327 void set(
const std::vector<MzTabParameter>& parameters);
342 void setSeparator(
char sep);
346 void setNull(
bool b);
348 String toCellString()
const;
350 void fromCellString(
const String& s);
352 std::vector<MzTabString>
get()
const;
354 void set(
const std::vector<MzTabString>& entries);
371 void setNull(
bool b);
374 void setPositionsAndParameters(
const std::vector<std::pair<Size, MzTabParameter> >& ppp);
376 std::vector<std::pair<Size, MzTabParameter> > getPositionsAndParameters()
const;
378 void setModificationIdentifier(
const MzTabString& mod_id);
382 String toCellString()
const;
384 void fromCellString(
const String& s);
399 void setNull(
bool b);
401 String toCellString()
const;
403 void fromCellString(
const String& s);
405 std::vector<MzTabModification>
get()
const;
407 void set(
const std::vector<MzTabModification>& entries);
424 void setNull(
bool b);
426 void setMSFile(
Size index);
428 void setSpecRef(
String spec_ref);
430 String getSpecRef()
const;
432 Size getMSFile()
const;
434 void setSpecRefFile(
const String& spec_ref);
436 String toCellString()
const;
438 void fromCellString(
const String& s);
546 std::map<Size, MzTabString>
uri;
558 std::map<Size, MzTabMSRunMetaData>
ms_run;
562 std::map<Size, MzTabSampleMetaData>
sample;
564 std::map<Size, MzTabAssayMetaData>
assay;
568 std::map<Size, MzTabCVMetaData>
cv;
604 std::vector<MzTabOptionalColumnEntry>
opt_;
630 std::vector<MzTabOptionalColumnEntry>
opt_;
656 std::vector<MzTabOptionalColumnEntry>
opt_;
686 std::vector<MzTabOptionalColumnEntry>
opt_;
713 const MzTabProteinSectionRows& getProteinSectionRows()
const;
715 void setProteinSectionRows(
const MzTabProteinSectionRows& psd);
717 const MzTabPeptideSectionRows& getPeptideSectionRows()
const;
719 void setPeptideSectionRows(
const MzTabPeptideSectionRows& psd);
721 const MzTabPSMSectionRows& getPSMSectionRows()
const;
723 void setPSMSectionRows(
const MzTabPSMSectionRows& psd);
725 void setCommentRows(
const std::map<Size, String>& com);
727 void setEmptyRows(
const std::vector<Size>& empty);
729 const std::vector<Size>& getEmptyRows()
const;
731 const std::map<Size, String>& getCommentRows()
const;
733 const MzTabSmallMoleculeSectionRows& getSmallMoleculeSectionRows()
const;
735 void setSmallMoleculeSectionRows(
const MzTabSmallMoleculeSectionRows& smsd);
738 std::vector<String> getProteinOptionalColumnNames()
const;
741 std::vector<String> getPeptideOptionalColumnNames()
const;
744 std::vector<String> getPSMOptionalColumnNames()
const;
747 std::vector<String> getSmallMoleculeOptionalColumnNames()
const;
761 #pragma clang diagnostic pop 763 #endif // OPENMS_FORMAT_MZTAB_H
MzTabSpectraRef spectra_ref
Definition: MzTab.h:625
MzTabSpectraRef spectra_ref
Definition: MzTab.h:677
MzTabDoubleList retention_time
Definition: MzTab.h:646
MzTabString uri
Definition: MzTab.h:597
std::map< Size, MzTabDouble > protein_abundance_assay
Definition: MzTab.h:600
MzTabMetaData meta_data_
Definition: MzTab.h:750
MzTabString database
Definition: MzTab.h:613
A more convenient string class.
Definition: String.h:57
MzTabString accession
Definition: MzTab.h:611
MzTabDouble calc_mass_to_charge
Definition: MzTab.h:668
MzTabString sequence
Definition: MzTab.h:610
std::map< Size, std::map< Size, MzTabDouble > > search_engine_score_ms_run
Definition: MzTab.h:617
MzTabString sequence
Definition: MzTab.h:636
MzTabParameterList search_engine
Definition: MzTab.h:588
std::vector< MzTabOptionalColumnEntry > opt_
Definition: MzTab.h:656
std::map< Size, MzTabDouble > best_search_engine_score
Definition: MzTab.h:679
MzTabString inchi_key
Definition: MzTab.h:665
MzTabString database
Definition: MzTab.h:640
MzTabString post
Definition: MzTab.h:653
std::vector< MzTabOptionalColumnEntry > opt_
Definition: MzTab.h:630
MzTabString end
Definition: MzTab.h:655
MzTabString database
Definition: MzTab.h:586
Size ms_run_
Definition: MzTab.h:441
String value_
Definition: MzTab.h:268
MzTabString modifications
Definition: MzTab.h:681
MzTabString database_version
Definition: MzTab.h:587
String CV_label_
Definition: MzTab.h:304
MzTabParameterList search_engine
Definition: MzTab.h:615
MzTabStringList identifier
Definition: MzTab.h:662
std::map< Size, MzTabDouble > best_search_engine_score
Definition: MzTab.h:616
std::vector< MzTabSmallMoleculeSectionRow > MzTabSmallMoleculeSectionRows
Definition: MzTab.h:692
std::map< Size, MzTabDouble > protein_abundance_stdev_study_variable
Definition: MzTab.h:602
std::vector< MzTabModification > entries_
Definition: MzTab.h:410
MzTabCellStateType state_
Definition: MzTab.h:130
std::vector< MzTabOptionalColumnEntry > opt_
Definition: MzTab.h:686
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
std::map< Size, MzTabDouble > peptide_abundance_study_variable
Definition: MzTab.h:627
char sep_
Definition: MzTab.h:358
Int value_
Definition: MzTab.h:198
std::map< Size, MzTabDouble > protein_abundance_std_error_study_variable
Definition: MzTab.h:603
std::map< Size, MzTabDouble > smallmolecule_abundance_assay
Definition: MzTab.h:682
MzTabString uri
Definition: MzTab.h:676
std::vector< MzTabProteinSectionRow > MzTabProteinSectionRows
Definition: MzTab.h:689
MzTabDoubleList retention_time
Definition: MzTab.h:670
std::map< Size, MzTabDouble > peptide_abundance_stdev_study_variable
Definition: MzTab.h:628
MzTabBoolean unique
Definition: MzTab.h:612
double value_
Definition: MzTab.h:152
MzTabInteger reliability
Definition: MzTab.h:618
MzTabModificationList modifications
Definition: MzTab.h:645
MzTabCellStateType
Data model of MzTab files. Please see the official MzTab specification at https://code.google.com/p/mztab/.
Definition: MzTab.h:59
std::vector< MzTabInteger > entries_
Definition: MzTab.h:220
MzTabString description
Definition: MzTab.h:666
MzTabString accession
Definition: MzTab.h:582
std::map< Size, MzTabInteger > num_peptides_distinct_ms_run
Definition: MzTab.h:593
MzTabString accession
Definition: MzTab.h:638
MzTabModificationList modifications
Definition: MzTab.h:596
MzTabDouble mass_to_charge
Definition: MzTab.h:623
String accession_
Definition: MzTab.h:305
std::map< Size, MzTabDouble > peptide_abundance_assay
Definition: MzTab.h:626
MzTabString species
Definition: MzTab.h:672
MzTabString uri
Definition: MzTab.h:650
MzTabPeptideSectionRows peptide_data_
Definition: MzTab.h:752
MzTabProteinSectionRows protein_data_
Definition: MzTab.h:751
String spec_ref_
Definition: MzTab.h:442
bool value_
Definition: MzTab.h:242
MzTabDoubleList retention_time_window
Definition: MzTab.h:621
MzTabInteger reliability
Definition: MzTab.h:591
std::map< Size, MzTabDouble > smallmolecule_abundance_std_error_study_variable
Definition: MzTab.h:685
MzTabString description
Definition: MzTab.h:583
std::map< Size, MzTabDouble > smallmolecule_abundance_stdev_study_variable
Definition: MzTab.h:684
std::vector< MzTabDouble > entries_
Definition: MzTab.h:176
MzTabString pre
Definition: MzTab.h:652
std::map< Size, std::map< Size, MzTabDouble > > search_engine_score_ms_run
Definition: MzTab.h:590
MzTabInteger taxid
Definition: MzTab.h:671
MzTabDoubleList retention_time
Definition: MzTab.h:620
std::vector< MzTabParameter > parameters_
Definition: MzTab.h:330
MzTabString species
Definition: MzTab.h:585
MzTabDouble protein_coverage
Definition: MzTab.h:599
MzTabModificationList modifications
Definition: MzTab.h:619
MzTabStringList go_terms
Definition: MzTab.h:598
MzTabString mod_identifier_
Definition: MzTab.h:388
std::vector< MzTabPeptideSectionRow > MzTabPeptideSectionRows
Definition: MzTab.h:690
std::map< Size, MzTabDouble > protein_abundance_study_variable
Definition: MzTab.h:601
MzTabDouble calc_mass_to_charge
Definition: MzTab.h:649
std::map< Size, std::map< Size, MzTabDouble > > search_engine_score_ms_run
Definition: MzTab.h:680
MzTabStringList ambiguity_members
Definition: MzTab.h:595
MzTabInteger charge
Definition: MzTab.h:647
MzTabString start
Definition: MzTab.h:654
std::map< Size, MzTabDouble > peptide_abundance_std_error_study_variable
Definition: MzTab.h:629
std::map< Size, MzTabDouble > smallmolecule_abundance_study_variable
Definition: MzTab.h:683
std::map< Size, MzTabDouble > best_search_engine_score
Definition: MzTab.h:589
MzTabDouble exp_mass_to_charge
Definition: MzTab.h:667
std::vector< Size > empty_rows_
Definition: MzTab.h:755
MzTabParameterList search_engine
Definition: MzTab.h:678
MzTabPSMSectionRows psm_data_
Definition: MzTab.h:753
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:128
bool null_
Definition: MzTab.h:105
MzTabInteger PSM_ID
Definition: MzTab.h:637
String name_
Definition: MzTab.h:306
MzTabString database
Definition: MzTab.h:673
std::vector< std::pair< Size, MzTabParameter > > pos_param_pairs_
Definition: MzTab.h:387
MzTabString uri
Definition: MzTab.h:624
std::vector< MzTabString > entries_
Definition: MzTab.h:357
std::map< Size, MzTabDouble > search_engine_score
Definition: MzTab.h:643
MzTabInteger reliability
Definition: MzTab.h:675
std::vector< MzTabPSMSectionRow > MzTabPSMSectionRows
Definition: MzTab.h:691
MzTabInteger charge
Definition: MzTab.h:622
MzTabInteger taxid
Definition: MzTab.h:584
MzTabSpectraRef spectra_ref
Definition: MzTab.h:651
std::vector< MzTabOptionalColumnEntry > opt_
Definition: MzTab.h:604
MzTabBoolean unique
Definition: MzTab.h:639
std::map< Size, MzTabInteger > num_psms_ms_run
Definition: MzTab.h:592
MzTabString database_version
Definition: MzTab.h:674
std::map< Size, MzTabInteger > num_peptides_unique_ms_run
Definition: MzTab.h:594
MzTabString chemical_formula
Definition: MzTab.h:663
MzTabString database_version
Definition: MzTab.h:614
int Int
Signed integer type.
Definition: Types.h:103
MzTabDouble charge
Definition: MzTab.h:669
String value_
Definition: MzTab.h:307
MzTabString database_version
Definition: MzTab.h:641
MzTabDouble exp_mass_to_charge
Definition: MzTab.h:648
std::map< Size, String > comment_rows_
Definition: MzTab.h:756
MzTabParameterList search_engine
Definition: MzTab.h:642
MzTabInteger reliability
Definition: MzTab.h:644
MzTabSmallMoleculeSectionRows small_molecule_data_
Definition: MzTab.h:754
MzTabString smiles
Definition: MzTab.h:664
std::pair< String, MzTabString > MzTabOptionalColumnEntry
Definition: MzTab.h:576
Data model of MzTab files. Please see the official MzTab specification at https://code.google.com/p/mztab/.
Definition: MzTab.h:700