OpenMS  2.6.0
SplinePackage.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: Lars Nilse $
32 // $Authors: Lars Nilse $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
40 
41 #include <vector>
42 #include <algorithm>
43 #include <iostream>
44 
45 namespace OpenMS
46 {
56 class OPENMS_DLLAPI SplinePackage
57 {
58 public:
62 SplinePackage(std::vector<double> pos, std::vector<double> intensity);
63 
67 ~SplinePackage();
68 
72 double getPosMin() const;
73 
77 double getPosMax() const;
78 
82 double getPosStepWidth() const;
83 
87 bool isInPackage(double pos) const;
88 
92 double eval(double pos) const;
93 
94 private:
98 double pos_min_;
99 double pos_max_;
100 
108 
113 
114 };
115 
116 }
117 
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