libpappsomspp
Library for mass spectrometry
qualifiedxic.h
Go to the documentation of this file.
1 /*
2  * *******************************************************************************
3  * * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
4  * *
5  * * This file is part of MassChroqPRM.
6  * *
7  * * MassChroqPRM is free software: you can redistribute it and/or modify
8  * * it under the terms of the GNU General Public License as published by
9  * * the Free Software Foundation, either version 3 of the License, or
10  * * (at your option) any later version.
11  * *
12  * * MassChroqPRM is distributed in the hope that it will be useful,
13  * * but WITHOUT ANY WARRANTY; without even the implied warranty of
14  * * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
15  * * GNU General Public License for more details.
16  * *
17  * * You should have received a copy of the GNU General Public License
18  * * along with MassChroqPRM. If not, see <http://www.gnu.org/licenses/>.
19  * *
20  * * Contributors:
21  * * Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
22  * implementation
23  * ******************************************************************************/
24 
25 #pragma once
26 
27 
28 #include <vector>
29 #include <memory>
30 #include "xic.h"
31 #include "../msrun/msrunid.h"
32 #include "../mzrange.h"
33 #include "../peptide/peptide.h"
34 #include "../psm/peakionmatch.h"
35 
36 
37 namespace pappso
38 {
39 
40 
41 class QualifiedXic;
42 typedef std::shared_ptr<Xic> QualifiedXicSp;
43 
45 {
46  private:
50 
52 
53  public:
54  QualifiedXic(const MsRunId &msrun_id,
55  pappso_double mz,
56  PrecisionPtr precision);
57  virtual ~QualifiedXic();
58  QualifiedXic(const QualifiedXic &toCopy);
59 
60 
62  getMz() const
63  {
64  return m_mz;
65  };
66  const XicCstSPtr
67  getXicCstSPtr() const
68  {
69  return msp_xic;
70  }
71 
72  const XicSPtr &
73  getXicSPtr() const
74  {
75  return msp_xic;
76  }
77 };
78 } // namespace pappso
MS run identity MsRunId identifies an MS run with a unique ID (XmlId) and contains eventually informa...
Definition: msrunid.h:53
PrecisionPtr mp_precision
Definition: qualifiedxic.h:49
const XicCstSPtr getXicCstSPtr() const
Definition: qualifiedxic.h:67
QualifiedXic(const MsRunId &msrun_id, pappso_double mz, PrecisionPtr precision)
const MsRunId m_msRunId
Definition: qualifiedxic.h:47
const XicSPtr & getXicSPtr() const
Definition: qualifiedxic.h:73
pappso_double getMz() const
Definition: qualifiedxic.h:62
pappso_double m_mz
Definition: qualifiedxic.h:48
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
std::shared_ptr< Xic > QualifiedXicSp
Definition: qualifiedxic.h:41
std::shared_ptr< const Xic > XicCstSPtr
Definition: xic.h:37
double pappso_double
A type definition for doubles.
Definition: types.h:49
std::shared_ptr< Xic > XicSPtr
Definition: xic.h:39