OpenMS
PepXMLFile::AminoAcidModification Struct Reference
Collaboration diagram for PepXMLFile::AminoAcidModification:
[legend]

Public Member Functions

 AminoAcidModification ()=delete
 
 AminoAcidModification (const String &aminoacid, const String &massdiff, const String &mass, String variable, const String &description, String terminus, const String &protein_terminus, const std::vector< const ResidueModification * > &preferred_fixed_mods, const std::vector< const ResidueModification * > &preferred_var_mods, double tolerance)
 
 AminoAcidModification (const AminoAcidModification &rhs)=default
 
virtual ~AminoAcidModification ()=default
 
AminoAcidModification & operator= (const AminoAcidModification &rhs)=default
 
String toUnimodLikeString () const
 
const String & getDescription () const
 
bool isVariable () const
 
const ResidueModification * getRegisteredMod () const
 
double getMassDiff () const
 
double getMass () const
 
const String & getTerminus () const
 
const String & getAminoAcid () const
 
const std::vector< String > & getErrors () const
 

Private Member Functions

const ResidueModification * lookupModInPreferredMods_ (const std::vector< const ResidueModification * > &preferred_fixed_mods, const String &aminoacid, double massdiff, const String &description, const ResidueModification::TermSpecificity term_spec, double tolerance)
 

Private Attributes

String aminoacid_
 
double massdiff_
 
double mass_
 
bool is_variable_
 
String description_
 
String terminus_
 
bool is_protein_terminus_
 
ResidueModification::TermSpecificity term_spec_
 
std::vector< String > errors_
 
const ResidueModification * registered_mod_
 

Constructor & Destructor Documentation

◆ AminoAcidModification() [1/3]

◆ AminoAcidModification() [2/3]

AminoAcidModification ( const String &  aminoacid,
const String &  massdiff,
const String &  mass,
String  variable,
const String &  description,
String  terminus,
const String &  protein_terminus,
const std::vector< const ResidueModification * > &  preferred_fixed_mods,
const std::vector< const ResidueModification * > &  preferred_var_mods,
double  tolerance 
)

Creates an AminoAcidModification object from the pepXML attributes in EITHER aminoacid_modification elements OR terminal_modification elements since we use them ambiguously

◆ AminoAcidModification() [3/3]

AminoAcidModification ( const AminoAcidModification &  rhs)
default

◆ ~AminoAcidModification()

virtual ~AminoAcidModification ( )
virtualdefault

Member Function Documentation

◆ getAminoAcid()

const String& getAminoAcid ( ) const

◆ getDescription()

const String& getDescription ( ) const

◆ getErrors()

const std::vector<String>& getErrors ( ) const

◆ getMass()

double getMass ( ) const

◆ getMassDiff()

double getMassDiff ( ) const

◆ getRegisteredMod()

const ResidueModification* getRegisteredMod ( ) const

◆ getTerminus()

const String& getTerminus ( ) const

◆ isVariable()

bool isVariable ( ) const

◆ lookupModInPreferredMods_()

const ResidueModification* lookupModInPreferredMods_ ( const std::vector< const ResidueModification * > &  preferred_fixed_mods,
const String &  aminoacid,
double  massdiff,
const String &  description,
const ResidueModification::TermSpecificity  term_spec,
double  tolerance 
)
private

◆ operator=()

AminoAcidModification& operator= ( const AminoAcidModification &  rhs)
default

◆ toUnimodLikeString()

String toUnimodLikeString ( ) const

Member Data Documentation

◆ aminoacid_

String aminoacid_
private

◆ description_

String description_
private

◆ errors_

std::vector<String> errors_
private

◆ is_protein_terminus_

bool is_protein_terminus_
private

◆ is_variable_

bool is_variable_
private

◆ mass_

double mass_
private

◆ massdiff_

double massdiff_
private

◆ registered_mod_

const ResidueModification* registered_mod_
private

◆ term_spec_

◆ terminus_

String terminus_
private