Home  · Classes  · Annotated Classes  · Modules  · Members  · Namespaces  · Related Pages
Scoring.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 2002-2017.
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 // $Maintainer: Hannes Roest$
32 // $Authors: Hannes Roest$
33 // --------------------------------------------------------------------------
34 
35 #ifndef OPENMS_ANALYSIS_OPENSWATH_OPENSWATHALGO_ALGO_SCORING_H
36 #define OPENMS_ANALYSIS_OPENSWATH_OPENSWATHALGO_ALGO_SCORING_H
37 
38 #include <numeric>
39 #include <map>
40 #include <vector>
41 
42 #include <OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/OpenSwathAlgoConfig.h>
43 
44 namespace OpenSwath
45 {
46 
52  namespace Scoring
53  {
56  typedef std::map<int, double> XCorrArrayType;
59 
73  OPENSWATHALGO_DLLAPI double NormalizedManhattanDist(double x[], double y[], int n);
74 
83  OPENSWATHALGO_DLLAPI double RootMeanSquareDeviation(double x[], double y[], int n);
84 
93  OPENSWATHALGO_DLLAPI double SpectralAngle(double x[], double y[], int n);
94 
97  OPENSWATHALGO_DLLAPI XCorrArrayType calcxcorr_legacy_mquest_(std::vector<double>& data1,
98  std::vector<double>& data2, bool normalize);
99 
102  OPENSWATHALGO_DLLAPI XCorrArrayType normalizedCrossCorrelation(std::vector<double>& data1,
103  std::vector<double>& data2, int maxdelay, int lag);
104 
106  OPENSWATHALGO_DLLAPI XCorrArrayType calculateCrossCorrelation(std::vector<double>& data1,
107  std::vector<double>& data2, int maxdelay, int lag);
108 
110  OPENSWATHALGO_DLLAPI XCorrArrayType::iterator xcorrArrayGetMaxPeak(XCorrArrayType & array);
111 
113  OPENSWATHALGO_DLLAPI void standardize_data(std::vector<double>& data);
114 
116  OPENSWATHALGO_DLLAPI void normalize_sum(double x[], unsigned int n);
118 
119  }
120 }
121 
122 #endif // OPENMS_ANALYSIS_OPENSWATH_OPENSWATHALGO_ALGO_SCORING_H
std::map< int, double > XCorrArrayType
Cross Correlation array.
Definition: Scoring.h:57
OPENSWATHALGO_DLLAPI XCorrArrayType normalizedCrossCorrelation(std::vector< double > &data1, std::vector< double > &data2, int maxdelay, int lag)
OPENSWATHALGO_DLLAPI XCorrArrayType calculateCrossCorrelation(std::vector< double > &data1, std::vector< double > &data2, int maxdelay, int lag)
Calculate crosscorrelation on std::vector data without normalization.
OPENSWATHALGO_DLLAPI void normalize(const std::vector< double > &intensities, double normalization_factor, std::vector< double > &normalized_intensities)
Normalize intensities in vector by normalization_factor.
OPENSWATHALGO_DLLAPI void standardize_data(std::vector< double > &data)
Standardize a vector (subtract mean, divide by standard deviation)
OPENSWATHALGO_DLLAPI void normalize_sum(double x[], unsigned int n)
divide each element of x by the sum of the vector
Definition: MRMScoring.h:51
OPENSWATHALGO_DLLAPI double RootMeanSquareDeviation(double x[], double y[], int n)
Calculate the RMSD (root means square deviation)
OPENSWATHALGO_DLLAPI double NormalizedManhattanDist(double x[], double y[], int n)
Calculate the normalized Manhattan distance between two arrays.
OPENSWATHALGO_DLLAPI double SpectralAngle(double x[], double y[], int n)
Calculate the Spectral angle (acosine of the normalized dotproduct)
OPENSWATHALGO_DLLAPI XCorrArrayType::iterator xcorrArrayGetMaxPeak(XCorrArrayType &array)
Find best peak in an cross-correlation (highest apex)
OPENSWATHALGO_DLLAPI XCorrArrayType calcxcorr_legacy_mquest_(std::vector< double > &data1, std::vector< double > &data2, bool normalize)

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:03 using doxygen 1.8.13