ModificationDefinition Class Reference [Chemistry]

Representation of modification definition. More...

#include <OpenMS/CHEMISTRY/ModificationDefinition.h>

List of all members.

Public Member Functions
Constructor and Destructors
	ModificationDefinition ()
	default constructor
	ModificationDefinition (const ModificationDefinition &rhs)
	copy constructor
	ModificationDefinition (const String &mod)
	detailed constructor specifying the modifications name
virtual	~ModificationDefinition ()
	destructor
Accessors
void	setTermSpecificity (ResidueModification::Term_Specificity pos)
	sets the allowed position of the modification
ResidueModification::Term_Specificity	getTermSpecificity () const
	returns the allowed position of the modification
void	setFixedModification (bool fixed)
	sets whether this modification definition is fixed or variable (modification must occur vs. can occur)
bool	isFixedModification () const
	returns if the modification if fixed true, else false
void	setMaxOccurences (UInt num)
	set the maximal number of occurences per peptide, unbound if 0
UInt	getMaxOccurences () const
	returns the maximal number of occurences per peptide
String	getModification () const
	returns the modification set
void	setModification (const String &modification)
	sets the modification, allowed are unique names provided by ModificationsDB
Assignment
ModificationDefinition &	operator= (const ModificationDefinition &element)
	assignment operator
Predicates
bool	operator== (const ModificationDefinition &rhs) const
	equality operator
bool	operator!= (const ModificationDefinition &rhs) const
	inequality operator
bool	operator< (const OpenMS::ModificationDefinition &) const
	less than operator for e.g. usage in maps; only mod FullIds are compared!
Protected Attributes
ResidueModification::Term_Specificity	term_spec_
	allowed position
const ResidueModification *	mod_
	the modification
bool	fixed_modification_
	fixed (true) or variable (false)
UInt	max_occurences_
	maximal number of occurences per peptide

---

Detailed Description

Representation of modification definition.

This class defines a modification type e.g. a input parameter of a search engine. The modification is defined using an unique name of the modification present in the modifications DB instance.

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Constructor & Destructor Documentation

ModificationDefinition

(

)

default constructor

ModificationDefinition

(

const ModificationDefinition &

rhs

)

copy constructor

ModificationDefinition

(

const String &

mod

)

detailed constructor specifying the modifications name

virtual ~ModificationDefinition

(

)

[virtual]

destructor

---

Member Function Documentation

UInt getMaxOccurences

(

)

const

returns the maximal number of occurences per peptide

String getModification

(

)

const

returns the modification set

ResidueModification::Term_Specificity getTermSpecificity

(

)

const

returns the allowed position of the modification

bool isFixedModification

(

)

const

returns if the modification if fixed true, else false

bool operator!=

(

const ModificationDefinition &

rhs

)

const

inequality operator

bool operator<

(

const OpenMS::ModificationDefinition &

)

const

less than operator for e.g. usage in maps; only mod FullIds are compared!

ModificationDefinition& operator=

(

const ModificationDefinition &

element

)

assignment operator

bool operator==

(

const ModificationDefinition &

rhs

)

const

equality operator

void setFixedModification

(

bool

fixed

)

sets whether this modification definition is fixed or variable (modification must occur vs. can occur)

void setMaxOccurences

(

UInt

num

)

set the maximal number of occurences per peptide, unbound if 0

void setModification

(

const String &

modification

)

sets the modification, allowed are unique names provided by ModificationsDB

void setTermSpecificity

(

ResidueModification::Term_Specificity

pos

)

sets the allowed position of the modification

---

Member Data Documentation

bool fixed_modification_ [protected]

fixed (true) or variable (false)

UInt max_occurences_ [protected]

maximal number of occurences per peptide

const ResidueModification* mod_ [protected]

the modification

ResidueModification::Term_Specificity term_spec_ [protected]

allowed position