OpenMS
ROCCurve.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 2002-2023.
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: Timo Sachsenberg $
32 // $Authors: $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
37 #include <OpenMS/config.h>
38 #include <OpenMS/CONCEPT/Types.h>
39 
40 #include <list>
41 #include <vector>
42 
43 namespace OpenMS
44 {
45  namespace Math
46  {
54  class OPENMS_DLLAPI ROCCurve
55  {
56 public:
57 
58  // @name Constructors and Destructors
59  // @{
62 
64  explicit ROCCurve(const std::vector<std::pair<double,bool>> & pairs);
65 
67  virtual ~ROCCurve() = default;
68 
70  ROCCurve(const ROCCurve & source);
71  // @}
72 
73  // @name Operators
74  // @{
76  ROCCurve & operator=(const ROCCurve & source);
77  // @}
78 
79  // @name Accessors
80  // @{
82  void insertPair(double score, bool clas);
83 
85  double AUC();
86 
88  double rocN(Size N);
89 
91  std::vector<std::pair<double, double> > curve(UInt resolution = 10);
92 
95  double cutoffPos(double fraction = 0.95);
96 
99  double cutoffNeg(double fraction = 0.95);
100 
101  // @}
102 
103 private:
105  inline void sort();
106 
108  inline void count();
109 
112  inline double trapezoidal_area(double x1, double x2, double y1, double y2);
113 
115  class OPENMS_DLLAPI simsortdec
116  {
117 public:
118 
119  bool operator()(const std::pair<double, bool> & a, const std::pair<double, bool> & b)
120  {
121  return b.first < a.first;
122  }
123 
124  };
125 
126 
127  std::vector<std::pair<double, bool> > score_clas_pairs_;
128 
130 
132 
133  bool sorted_;
134  };
135  }
136 }
predicate for sort()
Definition: ROCCurve.h:116
bool operator()(const std::pair< double, bool > &a, const std::pair< double, bool > &b)
Definition: ROCCurve.h:119
ROCCurves show the trade-off in sensitivity and specificity for binary classifiers using different cu...
Definition: ROCCurve.h:55
void insertPair(double score, bool clas)
insert score, type pair
double AUC()
returns Area Under Curve
ROCCurve()
default constructor
ROCCurve & operator=(const ROCCurve &source)
assignment operator
UInt neg_
Definition: ROCCurve.h:131
std::vector< std::pair< double, double > > curve(UInt resolution=10)
some points in the ROC Curve
void sort()
sorts data and caches if sorted
std::vector< std::pair< double, bool > > score_clas_pairs_
Definition: ROCCurve.h:127
double rocN(Size N)
returns ROC-N score (e.g. ROC-50). Returns -1 if not enough false positives were found
ROCCurve(const ROCCurve &source)
copy constructor
virtual ~ROCCurve()=default
destructor
double trapezoidal_area(double x1, double x2, double y1, double y2)
double cutoffPos(double fraction=0.95)
ROCCurve(const std::vector< std::pair< double, bool >> &pairs)
constructor with value, class pairs
double cutoffNeg(double fraction=0.95)
void count()
counts global pos and neg
bool sorted_
Definition: ROCCurve.h:133
UInt pos_
Definition: ROCCurve.h:129
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48