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OpenMS
ANALYSIS
MAPMATCHING
FeatureMapping.h
Go to the documentation of this file.
1
// --------------------------------------------------------------------------
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// OpenMS -- Open-Source Mass Spectrometry
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// --------------------------------------------------------------------------
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
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// ETH Zurich, and Freie Universitaet Berlin 2002-2020.
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//
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// This software is released under a three-clause BSD license:
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// * Redistributions of source code must retain the above copyright
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// notice, this list of conditions and the following disclaimer.
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// * Redistributions in binary form must reproduce the above copyright
11
// notice, this list of conditions and the following disclaimer in the
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// documentation and/or other materials provided with the distribution.
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// * Neither the name of any author or any participating institution
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// may be used to endorse or promote products derived from this software
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// without specific prior written permission.
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// For a full list of authors, refer to the file AUTHORS.
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// --------------------------------------------------------------------------
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
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// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
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// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
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// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
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// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
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// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
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// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
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// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
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// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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//
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// --------------------------------------------------------------------------
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// $Maintainer: Oliver Alka $
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// $Authors: Oliver Alka $
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// --------------------------------------------------------------------------
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#pragma once
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#include <
OpenMS/KERNEL/BaseFeature.h
>
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#include <
OpenMS/ANALYSIS/QUANTITATION/KDTreeFeatureMaps.h
>
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#include <
OpenMS/KERNEL/MSExperiment.h
>
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namespace
OpenMS
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{
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class
OPENMS_DLLAPI
FeatureMapping
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{
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public
:
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struct
FeatureToMs2Indices
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{
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Map<const BaseFeature*, std::vector<size_t>
>
assignedMS2
;
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std::vector<size_t>
unassignedMS2
;
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};
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static
FeatureToMs2Indices
assignMS2IndexToFeature(
const
MSExperiment
& spectra,
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const
KDTreeFeatureMaps
& fp_map_kd,
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const
double
& precursor_mz_tolerance,
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const
double
& precursor_rt_tolerance,
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bool
ppm);
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};
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}
// namespace OpenMS
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::Map
Map class based on the STL map (containing several convenience functions)
Definition:
Map.h:50
MSExperiment.h
OpenMS::FeatureMapping::FeatureToMs2Indices::unassignedMS2
std::vector< size_t > unassignedMS2
Definition:
FeatureMapping.h:51
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry experiment.
Definition:
MSExperiment.h:77
OpenMS::FeatureMapping::FeatureToMs2Indices
Definition:
FeatureMapping.h:48
OpenMS::KDTreeFeatureMaps
Stores a set of features, together with a 2D tree for fast search.
Definition:
KDTreeFeatureMaps.h:49
OpenMS
Main OpenMS namespace.
Definition:
FeatureDeconvolution.h:46
KDTreeFeatureMaps.h
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