libpappsomspp
Library for mass spectrometry
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specxtractinterface.h File Reference

Matthieu David's SpecTree structure. More...

#include <map>
#include "../../exportinmportconfig.h"

Go to the source code of this file.

Classes

class  pappso::spectree::SpecXtractInterface
 yield similarities between pairs of ItemCart More...
 
class  pappso::spectree::SpecXtractMap
 store all similarities in vectors an map : very costly for memory and CPU More...
 

Namespaces

namespace  pappso
 tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multicharge peaks to monocharge
 
namespace  pappso::spectree
 

Detailed Description

Matthieu David's SpecTree structure.

Date
11/12/2023
Author
Olivier Langella

C++ implementation of algorithm already described in :

  1. David, M., Fertin, G., Rogniaux, H. & Tessier, D. SpecOMS: A Full Open Modification Search Method Performing All-to-All Spectra Comparisons within Minutes. J. Proteome Res. 16, 3030–3038 (2017).

https://www.theses.fr/2019NANT4092

Definition in file specxtractinterface.h.