OpenMS  2.4.0
GaussFitter.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: Chris Bielow $
32 // $Authors: Andreas Bertsch, Chris Bielow $
33 // --------------------------------------------------------------------------
34 //
35 
36 #pragma once
37 
40 
41 #include <vector>
42 
43 namespace OpenMS
44 {
45  namespace Math
46  {
58  class OPENMS_DLLAPI GaussFitter
59  {
60 public:
61 
63  struct OPENMS_DLLAPI GaussFitResult
64  {
65 public:
67  : A(-1.0), x0(-1.0), sigma(-1.0) {}
68  GaussFitResult(double a, double x, double s)
69  : A(a), x0(x), sigma(s) {}
70 
72  double A;
73 
75  double x0;
76 
78  double sigma;
79 
88  double eval(const double x) const;
89  };
90 
92  GaussFitter();
93 
95  virtual ~GaussFitter();
96 
98  void setInitialParameters(const GaussFitResult& result);
99 
107  GaussFitResult fit(std::vector<DPosition<2> > & points) const;
108 
117  static std::vector<double> eval(const std::vector<double>& evaluation_points, const GaussFitResult& model);
118 
119 protected:
120 
122 
123 private:
124 
126  GaussFitter(const GaussFitter & rhs);
127 
129  GaussFitter & operator=(const GaussFitter & rhs);
130  };
131  }
132 }
133 
Implements a fitter for Gaussian functions.
Definition: GaussFitter.h:58
double x0
parameter x0 of Gaussian distribution (center position)
Definition: GaussFitter.h:75
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
double sigma
parameter sigma of Gaussian distribution (width)
Definition: GaussFitter.h:78
double A
parameter A of Gaussian distribution (amplitude)
Definition: GaussFitter.h:72
GaussFitResult init_param_
Definition: GaussFitter.h:121
GaussFitResult()
Definition: GaussFitter.h:66
struct of parameters of a Gaussian distribution
Definition: GaussFitter.h:63
GaussFitResult(double a, double x, double s)
Definition: GaussFitter.h:68