Vespucci  1.0.0
quantification.h
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1 /*******************************************************************************
2  Copyright (C) 2014-2016 Wright State University - All Rights Reserved
3  Daniel P. Foose - Maintainer/Lead Developer
4 
5  This file is part of Vespucci.
6 
7  Vespucci is free software: you can redistribute it and/or modify
8  it under the terms of the GNU General Public License as published by
9  the Free Software Foundation, either version 3 of the License, or
10  (at your option) any later version.
11 
12  Vespucci is distributed in the hope that it will be useful,
13  but WITHOUT ANY WARRANTY; without even the implied warranty of
14  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
15  GNU General Public License for more details.
16 
17  You should have received a copy of the GNU General Public License
18  along with Vespucci. If not, see <http://www.gnu.org/licenses/>.
19 *******************************************************************************/
20 #ifndef QUANTIFICATION_H
21 #define QUANTIFICATION_H
22 #include <Math/Accessory/accessory.h>
23 #include "Global/libvespucci.h"
24 #include "Math/Quantification/bandwidth.h"
25 #include "Math/Quantification/correlation.h"
26 #include "Math/Quantification/integration.h"
27 #include "Math/Quantification/maximum.h"
28 
29 namespace Vespucci{
30  namespace Math{
31  namespace Quantification{
32  VESPUCCI_EXPORT arma::rowvec QuantifyPeak(const arma::vec &spectrum,
33  const arma::vec &abscissa,
34  double &min,
35  double &max,
36  arma::uword bound_window,
37  arma::mat &total_baseline,
38  arma::mat &inflection_baseline);
39 
40  VESPUCCI_EXPORT arma::mat QuantifyPeakMat(const arma::mat &spectra,
41  const arma::vec &abscissa,
42  double &min,
43  double &max,
44  arma::uword bound_window,
45  arma::mat &total_baselines,
46  arma::field<arma::mat> &inflection_baselines);
47 
48  VESPUCCI_EXPORT arma::mat ConvertInflectionBaselines(const arma::field<arma::mat> &inflection_baselines);
49 
50 
51  VESPUCCI_EXPORT arma::rowvec FitGaussianPeak(const arma::vec &spectrum,
52  const arma::vec &abscissa,
53  double &min,
54  double &max,
55  arma::mat &baseline,
56  arma::mat &fit,
57  arma::rowvec &params,
58  arma::mat residuals);
59 
60  VESPUCCI_EXPORT arma::mat FitGaussianPeakMat(const arma::mat &spectra,
61  const arma::vec &abscissa,
62  double &min,
63  double &max,
64  arma::mat &baselines,
65  arma::mat &fits,
66  arma::mat &params,
67  arma::mat &residuals);
68 
69  VESPUCCI_EXPORT arma::rowvec FitLorentzianPeak(const arma::vec &spectrum,
70  const arma::vec &abscissa,
71  double &min,
72  double &max,
73  arma::mat &baseline,
74  arma::mat &fit,
75  arma::rowvec &params,
76  arma::mat residuals);
77 
78  VESPUCCI_EXPORT arma::mat FitLorentzianPeakMat(const arma::mat &spectra,
79  const arma::vec &abscissa,
80  double &min,
81  double &max,
82  arma::mat &baselines,
83  arma::mat &fits,
84  arma::mat &params,
85  arma::mat &residuals);
86 
87  VESPUCCI_EXPORT arma::rowvec FitVoigtPeak(const arma::vec &spectrum, const arma::vec &abscissa,
88  double &min,
89  double &max,
90  arma::mat &baseline,
91  arma::mat &fit,
92  arma::rowvec &params,
93  arma::mat residuals);
94 
95  VESPUCCI_EXPORT arma::mat FitVoigtPeakMat(const arma::mat &spectra,
96  const arma::vec &abscissa,
97  double &min,
98  double &max,
99  arma::mat &baselines,
100  arma::mat &fits,
101  arma::mat &params,
102  arma::mat &residuals);
103 
104  }
105  }
106 }
107 
108 
109 #endif //QUANTIFICATION_H
Vespucci::Math::max
VESPUCCI_EXPORT arma::uword max(arma::uword a, arma::uword b)
Vespucci::Math::max.
Definition: accessory.cpp:237
Vespucci::Math::Quantification::FitGaussianPeakMat
VESPUCCI_EXPORT arma::mat FitGaussianPeakMat(const arma::mat &spectra, const arma::vec &abscissa, double &min, double &max, arma::mat &baselines, arma::mat &fits, arma::mat &params, arma::mat &residuals)
Definition: quantification.cpp:279
Vespucci::Math::Quantification::FitLorentzianPeak
VESPUCCI_EXPORT arma::rowvec FitLorentzianPeak(const arma::vec &spectrum, const arma::vec &abscissa, double &min, double &max, arma::mat &baseline, arma::mat &fit, arma::rowvec &params, arma::mat residuals)
Vespucci::Math::Quantification::FitLorentzianPeak.
Definition: quantification.cpp:353
Vespucci::Math::Quantification::FitGaussianPeak
VESPUCCI_EXPORT arma::rowvec FitGaussianPeak(const arma::vec &spectrum, const arma::vec &abscissa, double &min, double &max, arma::mat &baseline, arma::mat &fit, arma::rowvec &params, arma::mat residuals)
Vespucci::Math::Quantification::FitGaussianPeak Fit and analyze data with a Gaussian function...
Definition: quantification.cpp:238
Vespucci::Math::Quantification::QuantifyPeak
VESPUCCI_EXPORT arma::rowvec QuantifyPeak(const arma::vec &spectrum, const arma::vec &abscissa, double &min, double &max, arma::uword bound_window, arma::mat &total_baseline, arma::mat &inflection_baseline)
Vespucci::Math::Quantification::QuantifyPeak Performs empirical analysis of peak shape and magnitude...
Definition: quantification.cpp:42
Vespucci::Math::Quantification::FitVoigtPeak
VESPUCCI_EXPORT arma::rowvec FitVoigtPeak(const arma::vec &spectrum, const arma::vec &abscissa, double &min, double &max, arma::mat &baseline, arma::mat &fit, arma::rowvec &params, arma::mat residuals)
Vespucci::Math::Quantification::FitVoigtPeak.
Definition: quantification.cpp:481
Vespucci::Math::min
VESPUCCI_EXPORT arma::uword min(arma::uword a, arma::uword b)
Vespucci::Math::min.
Definition: accessory.cpp:249
Vespucci::Math::Quantification::ConvertInflectionBaselines
VESPUCCI_EXPORT arma::mat ConvertInflectionBaselines(const arma::field< arma::mat > &inflection_baselines)
Vespucci::Math::Quantification::ConvertInflectionBaselines.
Definition: quantification.cpp:198
VESPUCCI_EXPORT
#define VESPUCCI_EXPORT
Definition: libvespucci.h:7
Vespucci::Math::Quantification::FitVoigtPeakMat
VESPUCCI_EXPORT arma::mat FitVoigtPeakMat(const arma::mat &spectra, const arma::vec &abscissa, double &min, double &max, arma::mat &baselines, arma::mat &fits, arma::mat &params, arma::mat &residuals)
Vespucci::Math::Quantification::FitVoigtPeakMat.
Definition: quantification.cpp:536
Vespucci::Math::Quantification::QuantifyPeakMat
VESPUCCI_EXPORT arma::mat QuantifyPeakMat(const arma::mat &spectra, const arma::vec &abscissa, double &min, double &max, arma::uword bound_window, arma::mat &total_baselines, arma::field< arma::mat > &inflection_baselines)
Definition: quantification.cpp:153
Vespucci
A namespace for "global" functions, including math functions.
Definition: fileinterprocess.h:5
Vespucci::Math::Quantification::FitLorentzianPeakMat
VESPUCCI_EXPORT arma::mat FitLorentzianPeakMat(const arma::mat &spectra, const arma::vec &abscissa, double &min, double &max, arma::mat &baselines, arma::mat &fits, arma::mat &params, arma::mat &residuals)
Vespucci::Math::Quantification::FitLorentzianPeakMat.
Definition: quantification.cpp:406