ProteoWizard
LinearLeastSquares.hpp
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1 //
2 // $Id: LinearLeastSquares.hpp 1195 2009-08-14 22:12:04Z chambm $
3 //
4 // Original author: Robert Burke <robert.burke@cshs.org>
5 //
6 // Copyright 2006 Louis Warschaw Prostate Cancer Center
7 // Cedars Sinai Medical Center, Los Angeles, California 90048
8 //
9 // Licensed under the Apache License, Version 2.0 (the "License");
10 // you may not use this file except in compliance with the License.
11 // You may obtain a copy of the License at
12 //
13 // http://www.apache.org/licenses/LICENSE-2.0
14 //
15 // Unless required by applicable law or agreed to in writing, software
16 // distributed under the License is distributed on an "AS IS" BASIS,
17 // WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
18 // See the License for the specific language governing permissions and
19 // limitations under the License.
20 //
21 
22 #ifndef _LINEARLEASTSQUARES_HPP_
23 #define _LINEARLEASTSQUARES_HPP_
24 
25 
27 #include <iostream>
28 #include "LinearSolver.hpp"
29 #include "Types.hpp"
30 
31 namespace pwiz {
32 namespace math {
33 
34 enum PWIZ_API_DECL LinearLeastSquaresType {LinearLeastSquaresType_LU, LinearLeastSquaresType_QR};
35 
36 template <LinearLeastSquaresType lls_type = LinearLeastSquaresType_LU>
37 class LinearLeastSquares;
38 
39 template<>
40 class LinearLeastSquares<LinearLeastSquaresType_LU>
41 {
42 public:
43  template<typename T>
44  boost::numeric::ublas::vector<T> solve(const boost::numeric::ublas::matrix<T>& A,
45  const boost::numeric::ublas::vector<T>& y)
46  {
47  boost::numeric::ublas::permutation_matrix<std::size_t> m(A.size1());
48  boost::numeric::ublas::matrix<T> AtA = prod(trans(A), A);
49  boost::numeric::ublas::vector<T> b = y;
50  boost::numeric::ublas::vector<T> r;
51 
52  // This serves as a sanity check. Note that an exception here
53  // probably indicates a data file error.
54  if (boost::numeric::ublas::lu_factorize(AtA, m) == 0.)
55  {
56  r = prod(trans(A), b);
57 
58  boost::numeric::ublas::lu_substitute(AtA, m, r);
59  }
60 
61  return r;
62  }
63 };
64 
65 template<>
66 class LinearLeastSquares<LinearLeastSquaresType_QR>
67 {
68 public:
69 
70  template<typename T>
71  boost::numeric::ublas::vector<T> solve(
72  const boost::numeric::ublas::matrix<T>& A,
73  const boost::numeric::ublas::vector<T>& x)
74  {
76 
77  boost::numeric::ublas::vector<T> y = solver.solve(A, x);
78 
79  return y;
80  }
81 };
82 
83 }
84 }
85 
86 #endif // _LINEARLEASTSQUARES_HPP_