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NNLS.h

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00001 // --------------------------------------------------------------------------
00002 //                   OpenMS -- Open-Source Mass Spectrometry
00003 // --------------------------------------------------------------------------
00004 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
00005 // ETH Zurich, and Freie Universitaet Berlin 2002-2012.
00006 //
00007 // This software is released under a three-clause BSD license:
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00010 //  * Redistributions in binary form must reproduce the above copyright
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00012 //    documentation and/or other materials provided with the distribution.
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00016 // For a full list of authors, refer to the file AUTHORS.
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00030 // --------------------------------------------------------------------------
00031 // $Maintainer: Chris Bielow $
00032 // $Authors: Chris Bielow $
00033 // --------------------------------------------------------------------------
00034 
00035 #ifndef OPENMS_MATH_MISC_NNLS_NNLS_H
00036 #define OPENMS_MATH_MISC_NNLS_NNLS_H
00037 
00038 #include <OpenMS/config.h>
00039 
00040 namespace OpenMS
00041 {
00042 
00043   namespace NNLS
00044   {
00045     typedef int integer;
00046     typedef double doublereal;
00047 
00048     /*     SUBROUTINE NNLS  (A,MDA,M,N,B,X,RNORM,W,ZZ,INDEX,MODE) */
00049 
00050     /*  Algorithm NNLS: NONNEGATIVE LEAST SQUARES */
00051 
00052     /*  The original version of this code was developed by */
00053     /*  Charles L. Lawson and Richard J. Hanson at Jet Propulsion Laboratory */
00054     /*  1973 JUN 15, and published in the book */
00055     /*  "SOLVING LEAST SQUARES PROBLEMS", Prentice-HalL, 1974. */
00056     /*  Revised FEB 1995 to accompany reprinting of the book by SIAM. */
00057 
00058     /*     GIVEN AN M BY N MATRIX, A, AND AN M-VECTOR, B,  COMPUTE AN */
00059     /*     N-VECTOR, X, THAT SOLVES THE LEAST SQUARES PROBLEM */
00060 
00061     /*                      A * X = B  SUBJECT TO X .GE. 0 */
00062     /*     ------------------------------------------------------------------ */
00063     /*                     Subroutine Arguments */
00064 
00065     /*     A(),MDA,M,N     MDA IS THE FIRST DIMENSIONING PARAMETER FOR THE */
00066     /*                     ARRAY, A().   ON ENTRY A() CONTAINS THE M BY N */
00067     /*                     MATRIX, A.           ON EXIT A() CONTAINS */
00068     /*                     THE PRODUCT MATRIX, Q*A , WHERE Q IS AN */
00069     /*                     M BY M ORTHOGONAL MATRIX GENERATED IMPLICITLY BY */
00070     /*                     THIS SUBROUTINE. */
00071     /*     B()     ON ENTRY B() CONTAINS THE M-VECTOR, B.   ON EXIT B() CON- */
00072     /*             TAINS Q*B. */
00073     /*     X()     ON ENTRY X() NEED NOT BE INITIALIZED.  ON EXIT X() WILL */
00074     /*             CONTAIN THE SOLUTION VECTOR. */
00075     /*     RNORM   ON EXIT RNORM CONTAINS THE EUCLIDEAN NORM OF THE */
00076     /*             RESIDUAL VECTOR. */
00077     /*     W()     AN N-ARRAY OF WORKING SPACE.  ON EXIT W() WILL CONTAIN */
00078     /*             THE DUAL SOLUTION VECTOR.   W WILL SATISFY W(I) = 0. */
00079     /*             FOR ALL I IN SET P  AND W(I) .LE. 0. FOR ALL I IN SET Z */
00080     /*     ZZ()     AN M-ARRAY OF WORKING SPACE. */
00081     /*     INDEX()     AN INTEGER WORKING ARRAY OF LENGTH AT LEAST N. */
00082     /*                 ON EXIT THE CONTENTS OF THIS ARRAY DEFINE THE SETS */
00083     /*                 P AND Z AS FOLLOWS.. */
00084 
00085     /*                 INDEX(1)   THRU INDEX(NSETP) = SET P. */
00086     /*                 INDEX(IZ1) THRU INDEX(IZ2)   = SET Z. */
00087     /*                 IZ1 = NSETP + 1 = NPP1 */
00088     /*                 IZ2 = N */
00089     /*     MODE    THIS IS A SUCCESS-FAILURE FLAG WITH THE FOLLOWING */
00090     /*             MEANINGS. */
00091     /*             1     THE SOLUTION HAS BEEN COMPUTED SUCCESSFULLY. */
00092     /*             2     THE DIMENSIONS OF THE PROBLEM ARE BAD. */
00093     /*                   EITHER M .LE. 0 OR N .LE. 0. */
00094     /*             3    ITERATION COUNT EXCEEDED.  MORE THAN 3*N ITERATIONS. */
00095     int OPENMS_DLLAPI nnls_(doublereal * a, integer * mda, integer * m, integer *
00096                             n, doublereal * b, doublereal * x, doublereal * rnorm, doublereal * w,
00097                             doublereal * zz, integer * index, integer * mode);
00098 
00099     /* Subroutine */
00100     int OPENMS_DLLAPI g1_(doublereal *, doublereal *, doublereal *, doublereal *, doublereal *);
00101 
00102     /* Subroutine */
00103     int OPENMS_DLLAPI h12_(integer *, integer *, integer *, integer *, doublereal *, integer *, doublereal *, doublereal *, integer *, integer *, integer *);
00104 
00105     /* Subroutine */
00106     doublereal OPENMS_DLLAPI diff_(doublereal *, doublereal *);
00107 
00108     /* Subroutine */
00109     double OPENMS_DLLAPI d_sign_(double & a, double & b);
00110   }
00111 
00112 }
00113 
00114 #endif //OPENMS_MATH_MISC_NNLS_NNLS_H

OpenMS / TOPP release 1.10.0 Documentation generated on Thu Mar 7 2013 09:42:43 using doxygen 1.7.1