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OpenMS
FILTERING
DATAREDUCTION
SplinePackage.h
Go to the documentation of this file.
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// --------------------------------------------------------------------------
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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
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// 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: Lars Nilse $
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// $Authors: Lars Nilse $
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// --------------------------------------------------------------------------
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#pragma once
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#include <
OpenMS/KERNEL/StandardTypes.h
>
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#include <
OpenMS/DATASTRUCTURES/DRange.h
>
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#include <
OpenMS/MATH/MISC/CubicSpline2d.h
>
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#include <vector>
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#include <algorithm>
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#include <iostream>
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namespace
OpenMS
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{
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class
OPENMS_DLLAPI
SplinePackage
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{
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public
:
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SplinePackage
(std::vector<double> pos, std::vector<double> intensity);
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~
SplinePackage
();
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double
getPosMin()
const
;
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double
getPosMax()
const
;
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double
getPosStepWidth()
const
;
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bool
isInPackage(
double
pos)
const
;
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double
eval(
double
pos)
const
;
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private
:
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double
pos_min_
;
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double
pos_max_
;
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double
pos_step_width_
;
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CubicSpline2d
spline_
;
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};
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}
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OpenMS::CubicSpline2d
cubic spline interpolation as described in R.L. Burden, J.D. Faires, Numerical Analysis,...
Definition:
CubicSpline2d.h:53
OpenMS::SplinePackage::pos_min_
double pos_min_
position limits of the package in the raw data spectrum
Definition:
SplinePackage.h:98
DRange.h
CubicSpline2d.h
OpenMS
Main OpenMS namespace.
Definition:
FeatureDeconvolution.h:46
OpenMS::SplinePackage::spline_
CubicSpline2d spline_
spline object for interpolation of intensity profile
Definition:
SplinePackage.h:112
OpenMS::SplinePackage
fundamental data structure for SplineInterpolatedPeaks
Definition:
SplinePackage.h:56
OpenMS::SplinePackage::pos_step_width_
double pos_step_width_
sensible position step width with which to scan through the package
Definition:
SplinePackage.h:107
StandardTypes.h
OpenMS::SplinePackage::pos_max_
double pos_max_
Definition:
SplinePackage.h:99
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