OpenMS  3.0.0
IdentifiedMolecule.h
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34 
35 #pragma once
36 
41 
42 #include <variant>
43 
44 namespace OpenMS
45 {
46  namespace IdentificationDataInternal
47  {
48  typedef std::variant<IdentifiedPeptideRef, IdentifiedCompoundRef,
50 
54  struct OPENMS_DLLAPI IdentifiedMolecule: public RefVariant
55  {
56  IdentifiedMolecule() = default;
57 
61 
62  IdentifiedMolecule(const IdentifiedMolecule&) = default;
63 
64  MoleculeType getMoleculeType() const;
65 
66  IdentifiedPeptideRef getIdentifiedPeptideRef() const;
67 
68  IdentifiedCompoundRef getIdentifiedCompoundRef() const;
69 
70  IdentifiedOligoRef getIdentifiedOligoRef() const;
71 
72  String toString() const;
73 
74  EmpiricalFormula getFormula(Size fragment_type = 0, Int charge = 0) const;
75  };
76 
77  OPENMS_DLLAPI bool operator==(const IdentifiedMolecule& a, const IdentifiedMolecule& b);
78 
79  OPENMS_DLLAPI bool operator!=(const IdentifiedMolecule& a, const IdentifiedMolecule& b);
80 
81  OPENMS_DLLAPI bool operator<(const IdentifiedMolecule& a, const IdentifiedMolecule& b);
82 
83  }
84 }
OpenMS::IdentificationDataInternal::MoleculeType
MoleculeType
Definition: MetaData.h:65
OpenMS::IdentificationDataInternal::operator==
bool operator==(const IdentifiedMolecule &a, const IdentifiedMolecule &b)
OpenMS::IdentificationDataInternal::IdentifiedMolecule::IdentifiedMolecule
IdentifiedMolecule(IdentifiedCompoundRef ref)
Definition: IdentifiedMolecule.h:59
OpenMS::toString
const std::string & toString(const DriftTimeUnit value)
MetaData.h
OpenMS::IdentificationDataInternal::IdentifiedMolecule::IdentifiedMolecule
IdentifiedMolecule(IdentifiedPeptideRef ref)
Definition: IdentifiedMolecule.h:58
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS::IdentificationDataInternal::IdentifiedMolecule
Variant type holding Peptide/Compound/Oligo references and convenience functions.
Definition: IdentifiedMolecule.h:54
OpenMS::IdentificationDataInternal::IdentifiedMolecule::IdentifiedMolecule
IdentifiedMolecule(IdentifiedOligoRef ref)
Definition: IdentifiedMolecule.h:60
IdentifiedSequence.h
RefVariant
OpenMS::Int
int Int
Signed integer type.
Definition: Types.h:102
OpenMS::IdentificationDataInternal::RefVariant
std::variant< IdentifiedPeptideRef, IdentifiedCompoundRef, IdentifiedOligoRef > RefVariant
Definition: IdentifiedMolecule.h:49
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::IdentificationDataInternal::operator!=
bool operator!=(const IdentifiedMolecule &a, const IdentifiedMolecule &b)
OpenMS::IdentificationDataInternal::IteratorWrapper
Wrapper that adds operator< to iterators, so they can be used as (part of) keys in maps/sets or multi...
Definition: MetaData.h:45
EmpiricalFormula.h
IdentifiedCompound.h
OpenMS::EmpiricalFormula
Representation of an empirical formula.
Definition: EmpiricalFormula.h:84
OpenMS::IdentificationDataInternal::IdentifiedPeptideRef
IteratorWrapper< IdentifiedPeptides::iterator > IdentifiedPeptideRef
Definition: IdentifiedSequence.h:116
OpenMS::IdentificationDataInternal::IdentifiedCompoundRef
IteratorWrapper< IdentifiedCompounds::iterator > IdentifiedCompoundRef
Definition: IdentifiedCompound.h:81
OpenMS::IdentificationDataInternal::operator<
bool operator<(const IdentifiedMolecule &a, const IdentifiedMolecule &b)