OpenMS  2.4.0
IsotopeCluster.h
Go to the documentation of this file.
1 // --------------------------------------------------------------------------
2 // OpenMS -- Open-Source Mass Spectrometry
3 // --------------------------------------------------------------------------
4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2018.
6 //
7 // This software is released under a three-clause BSD license:
8 // * Redistributions of source code must retain the above copyright
9 // notice, this list of conditions and the following disclaimer.
10 // * Redistributions in binary form must reproduce the above copyright
11 // notice, this list of conditions and the following disclaimer in the
12 // documentation and/or other materials provided with the distribution.
13 // * Neither the name of any author or any participating institution
14 // may be used to endorse or promote products derived from this software
15 // without specific prior written permission.
16 // For a full list of authors, refer to the file AUTHORS.
17 // --------------------------------------------------------------------------
18 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
19 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
20 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
21 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
22 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
23 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
24 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
25 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
26 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
27 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
28 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
29 //
30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg$
32 // $Authors: Marc Sturm $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
37 #include <OpenMS/CONCEPT/Types.h>
38 #include <vector>
39 #include <set>
40 
41 namespace OpenMS
42 {
44  struct OPENMS_DLLAPI IsotopeCluster
45  {
47  typedef std::pair<Size, Size> IndexPair;
49  typedef std::set<IndexPair> IndexSet;
50 
52  struct ChargedIndexSet :
53  public IndexSet
54  {
56  charge(0)
57  {
58  }
59 
62  };
63 
65  peaks(),
66  scans()
67  {
68  }
69 
72 
74  std::vector<Size> scans;
75  };
76 
77 } // namespace OPENMS
78 
std::pair< Size, Size > IndexPair
An index e.g. in an MSExperiment.
Definition: IsotopeCluster.h:47
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
ChargedIndexSet peaks
peaks in this cluster
Definition: IsotopeCluster.h:71
IsotopeCluster()
Definition: IsotopeCluster.h:64
ChargedIndexSet()
Definition: IsotopeCluster.h:55
std::vector< Size > scans
the scans of this cluster
Definition: IsotopeCluster.h:74
index set with associated charge estimate
Definition: IsotopeCluster.h:52
Stores information about an isotopic cluster (i.e. potential peptide charge variants) ...
Definition: IsotopeCluster.h:44
Int charge
charge estimate (convention: zero means "no charge estimate")
Definition: IsotopeCluster.h:61
std::set< IndexPair > IndexSet
A set of index pairs, usually referring to an MSExperiment.
Definition: IsotopeCluster.h:49
int Int
Signed integer type.
Definition: Types.h:102