/******************************************************************************* * Copyright (c) 2017 Olivier Langella <olivier.langella@u-psud.fr>. * * This file is part of XTPcpp. * * XTPcpp is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any later version. * * XTPcpp is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with XTPcpp. If not, see <http://www.gnu.org/licenses/>. * * Contributors: * Olivier Langella <olivier.langella@u-psud.fr> - initial API and implementation ******************************************************************************/ #ifndef PEPTIDEMATCH_H #define PEPTIDEMATCH_H #include <pappsomspp/msrun/msrunid.h> #include <pappsomspp/types.h> #include <pappsomspp/peptide/peptide.h> #include "identification_sources/identificationdatasource.h" class PeptideMatch { public : PeptideMatch(pappso::MsRunIdSp msrunid_sp, unsigned int scan); void setRetentionTime(pappso::pappso_double rt); void setEvalue(pappso::pappso_double evalue); void setExperimentalMass(pappso::pappso_double exp_mass); void setStart(unsigned int start); void setCharge(unsigned int charge); void setPeptideSp (pappso::PeptideSp peptide); private : pappso::MsRunIdSp _msrunid_sp; unsigned int _scan; pappso::PeptideSp _peptide_sp; pappso::pappso_double _rt; pappso::pappso_double _evalue; pappso::pappso_double _exp_mass; unsigned int _start; unsigned int _charge; }; #endif // PEPTIDEMATCH_H