MassDelta Struct Reference

Mass delta modification with optional source hint. More...

#include <OpenMS/CHEMISTRY/ProFormaData.h>

Collaboration diagram for MassDelta:

Public Types
enum class	Source {   NONE , OBS , U , M ,   R , X , G }
	Source hint for mass delta values. More...

Public Attributes
Source	source = Source::NONE
	Optional source hint prefix.
double	mass
	The mass delta value in Daltons.
String	original_text
	Original text for lossless roundtrip (e.g., "+15.99" vs "+15.9900")

Detailed Description

Mass delta modification with optional source hint.

Represents a modification specified by mass difference. The source hint indicates which database was used to observe/calculate this mass (e.g., Obs:+79.978). The original_text preserves the exact formatting for lossless roundtrip.

Member Enumeration Documentation

Source

enum class Source

strong

Source hint for mass delta values.

Enumerator
NONE	No source hint specified.
OBS	Observed mass (Obs:)
U	UniMod lookup (U:)
M	PSI-MOD lookup (M:)
R	RESID lookup (R:)
X	XLMOD lookup (X:)
G	GNO lookup (G:)

Member Data Documentation

mass

double mass

The mass delta value in Daltons.

Referenced by OpenMS::from_json(), and OpenMS::to_json().

original_text

String original_text

Original text for lossless roundtrip (e.g., "+15.99" vs "+15.9900")

Referenced by OpenMS::from_json(), and OpenMS::to_json().

source

Source source = Source::NONE

Optional source hint prefix.

Referenced by OpenMS::from_json(), and OpenMS::to_json().