| OpenMS 2.5.0

FeatureMapping.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 2002-2020.
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: Oliver Alka $
32 // $Authors: Oliver Alka $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/KERNEL/BaseFeature.h>
38 #include <OpenMS/ANALYSIS/QUANTITATION/KDTreeFeatureMaps.h>
39 #include <OpenMS/KERNEL/MSExperiment.h>
40
41 namespace OpenMS
42 {
43
44 class OPENMS_DLLAPI FeatureMapping
45 {
46 public:
47
48 struct FeatureToMs2Indices
49 {
50 Map<const BaseFeature*, std::vector<size_t>> assignedMS2;
51 std::vector<size_t> unassignedMS2;
52 };
53
66 static FeatureToMs2Indices assignMS2IndexToFeature(const MSExperiment& spectra,
67 const KDTreeFeatureMaps& fp_map_kd,
68 const double& precursor_mz_tolerance,
69 const double& precursor_rt_tolerance,
70 bool ppm);
71
72 };
73 } // namespace OpenMS
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
OpenMS::KDTreeFeatureMaps
Stores a set of features, together with a 2D tree for fast search.
Definition: KDTreeFeatureMaps.h:49
OpenMS::Map
Map class based on the STL map (containing several convenience functions)
Definition: Map.h:50
OpenMS::FeatureMapping::FeatureToMs2Indices::unassignedMS2
std::vector< size_t > unassignedMS2
Definition: FeatureMapping.h:51
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
MSExperiment.h
OpenMS::FeatureMapping::FeatureToMs2Indices::assignedMS2
Map< const BaseFeature *, std::vector< size_t > > assignedMS2
Definition: FeatureMapping.h:50
OpenMS::FeatureMapping
Definition: FeatureMapping.h:44
BaseFeature.h
OpenMS::FeatureMapping::FeatureToMs2Indices
Definition: FeatureMapping.h:48
KDTreeFeatureMaps.h