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// --------------------------------------------------------------------------
// OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2013.
//
// This software is released under a three-clause BSD license:
// * Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
// * Redistributions in binary form must reproduce the above copyright
// notice, this list of conditions and the following disclaimer in the
// documentation and/or other materials provided with the distribution.
// * Neither the name of any author or any participating institution
// may be used to endorse or promote products derived from this software
// without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
// --------------------------------------------------------------------------
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// --------------------------------------------------------------------------
// $Maintainer: Chris Bielow $
// $Authors: Chris Bielow $
// --------------------------------------------------------------------------
#include <cmath>
#include <algorithm>
#include <OpenMS/MATH/MISC/NNLS/NNLS.h>
/*
The code below was converted from FORTRAN using f2c from http://www.netlib.org/lawson-hanson/all
Some modifications were made, in order for it to run properly (search for "--removed", "-- added" and "--changed" in the code below)
*/
namespace OpenMS
{
namespace NNLS
{
/* start of original code (with modification as described above) */
/* nnls.F -- translated by f2c (version 20100827).
You must link the resulting object file with libf2c:
on Microsoft Windows system, link with libf2c.lib;
on Linux or Unix systems, link with .../path/to/libf2c.a -lm
or, if you install libf2c.a in a standard place, with -lf2c -lm
-- in that order, at the end of the command line, as in
cc *.o -lf2c -lm
Source for libf2c is in /netlib/f2c/libf2c.zip, e.g.,
http://www.netlib.org/f2c/libf2c.zip
*/
/* #include "f2c.h" -- removed */
/* Table of constant values */
static integer c__1 = 1;
static integer c__0 = 0;
static integer c__2 = 2;
/* SUBROUTINE NNLS (A,MDA,M,N,B,X,RNORM,W,ZZ,INDEX,MODE) */
/* Algorithm NNLS: NONNEGATIVE LEAST SQUARES */
/* The original version of this code was developed by */
/* Charles L. Lawson and Richard J. Hanson at Jet Propulsion Laboratory */
/* 1973 JUN 15, and published in the book */
/* "SOLVING LEAST SQUARES PROBLEMS", Prentice-HalL, 1974. */
/* Revised FEB 1995 to accompany reprinting of the book by SIAM. */
/* GIVEN AN M BY N MATRIX, A, AND AN M-VECTOR, B, COMPUTE AN */
/* N-VECTOR, X, THAT SOLVES THE LEAST SQUARES PROBLEM */
/* A * X = B SUBJECT TO X .GE. 0 */
/* ------------------------------------------------------------------ */
/* Subroutine Arguments */
/* A(),MDA,M,N MDA IS THE FIRST DIMENSIONING PARAMETER FOR THE */
/* ARRAY, A(). ON ENTRY A() CONTAINS THE M BY N */
/* MATRIX, A. ON EXIT A() CONTAINS */
/* THE PRODUCT MATRIX, Q*A , WHERE Q IS AN */
/* M BY M ORTHOGONAL MATRIX GENERATED IMPLICITLY BY */
/* THIS SUBROUTINE. */
/* B() ON ENTRY B() CONTAINS THE M-VECTOR, B. ON EXIT B() CON- */
/* TAINS Q*B. */
/* X() ON ENTRY X() NEED NOT BE INITIALIZED. ON EXIT X() WILL */
/* CONTAIN THE SOLUTION VECTOR. */
/* RNORM ON EXIT RNORM CONTAINS THE EUCLIDEAN NORM OF THE */
/* RESIDUAL VECTOR. */
/* W() AN N-ARRAY OF WORKING SPACE. ON EXIT W() WILL CONTAIN */
/* THE DUAL SOLUTION VECTOR. W WILL SATISFY W(I) = 0. */
/* FOR ALL I IN SET P AND W(I) .LE. 0. FOR ALL I IN SET Z */
/* ZZ() AN M-ARRAY OF WORKING SPACE. */
/* INDEX() AN INTEGER WORKING ARRAY OF LENGTH AT LEAST N. */
/* ON EXIT THE CONTENTS OF THIS ARRAY DEFINE THE SETS */
/* P AND Z AS FOLLOWS.. */
/* INDEX(1) THRU INDEX(NSETP) = SET P. */
/* INDEX(IZ1) THRU INDEX(IZ2) = SET Z. */
/* IZ1 = NSETP + 1 = NPP1 */
/* IZ2 = N */
/* MODE THIS IS A SUCCESS-FAILURE FLAG WITH THE FOLLOWING */
/* MEANINGS. */
/* 1 THE SOLUTION HAS BEEN COMPUTED SUCCESSFULLY. */
/* 2 THE DIMENSIONS OF THE PROBLEM ARE BAD. */
/* EITHER M .LE. 0 OR N .LE. 0. */
/* 3 ITERATION COUNT EXCEEDED. MORE THAN 3*N ITERATIONS. */
/* ------------------------------------------------------------------ */
/* Subroutine */ int nnls_(doublereal * a, integer * mda, integer * m, integer *
n, doublereal * b, doublereal * x, doublereal * rnorm, doublereal * w,
doublereal * zz, integer * index, integer * mode)
{
/* System generated locals */
integer a_dim1, a_offset, i__1, i__2;
doublereal d__1, d__2;
/* Builtin functions */
/* double sqrt(doublereal); --removed */
/* integer s_wsfe(cilist *), do_fio(integer *, char *, ftnlen), e_wsfe(void); -- removed */
/* Local variables */
static integer i__, j, l;
static doublereal t;
/* Subroutine */ int g1_(doublereal *, doublereal *, doublereal *, doublereal *, doublereal *);
static doublereal cc;
/* Subroutine */ int h12_(integer *, integer *, integer *, integer *, doublereal *, integer *, doublereal *, doublereal *, integer *, integer *, integer *);
static integer ii, jj, ip;
static doublereal sm;
static integer iz, jz;
static doublereal up, ss;
static integer iz1, iz2, npp1;
doublereal diff_(doublereal *, doublereal *);
static integer iter;
static doublereal temp, wmax, alpha, asave;
static integer itmax, izmax, nsetp;
static doublereal dummy, unorm, ztest;
static integer rtnkey;
/* Fortran I/O blocks */
/* static cilist io___22 = { 0, 6, 0, "(/a)", 0 }; --removed */
/* ------------------------------------------------------------------ */
/* integer INDEX(N) */
/* double precision A(MDA,N), B(M), W(N), X(N), ZZ(M) */
/* ------------------------------------------------------------------ */
/* Parameter adjustments */
a_dim1 = *mda;
a_offset = 1 + a_dim1;
a -= a_offset;
--b;
--x;
--w;
--zz;
--index;
/* Function Body */
*mode = 1;
if (*m <= 0 || *n <= 0)
{
*mode = 2;
return 0;
}
iter = 0;
itmax = *n * 3;
/* INITIALIZE THE ARRAYS INDEX() AND X(). */
i__1 = *n;
for (i__ = 1; i__ <= i__1; ++i__)
{
x[i__] = 0.;
/* L20: */
index[i__] = i__;
}
iz2 = *n;
iz1 = 1;
nsetp = 0;
npp1 = 1;
/* ****** MAIN LOOP BEGINS HERE ****** */
L30:
/* QUIT IF ALL COEFFICIENTS ARE ALREADY IN THE SOLUTION. */
/* OR IF M COLS OF A HAVE BEEN TRIANGULARIZED. */
if (iz1 > iz2 || nsetp >= *m)
{
goto L350;
}
/* COMPUTE COMPONENTS OF THE DUAL (NEGATIVE GRADIENT) VECTOR W(). */
i__1 = iz2;
for (iz = iz1; iz <= i__1; ++iz)
{
j = index[iz];
sm = 0.;
i__2 = *m;
for (l = npp1; l <= i__2; ++l)
{
/* L40: */
sm += a[l + j * a_dim1] * b[l];
}
w[j] = sm;
/* L50: */
}
/* FIND LARGEST POSITIVE W(J). */
L60:
wmax = 0.;
i__1 = iz2;
for (iz = iz1; iz <= i__1; ++iz)
{
j = index[iz];
if (w[j] > wmax)
{
wmax = w[j];
izmax = iz;
}
/* L70: */
}
/* IF WMAX .LE. 0. GO TO TERMINATION. */
/* THIS INDICATES SATISFACTION OF THE KUHN-TUCKER CONDITIONS. */
if (wmax <= 0.)
{
goto L350;
}
iz = izmax;
j = index[iz];
/* THE SIGN OF W(J) IS OK FOR J TO BE MOVED TO SET P. */
/* BEGIN THE TRANSFORMATION AND CHECK NEW DIAGONAL ELEMENT TO AVOID */
/* NEAR LINEAR DEPENDENCE. */
asave = a[npp1 + j * a_dim1];
i__1 = npp1 + 1;
h12_(&c__1, &npp1, &i__1, m, &a[j * a_dim1 + 1], &c__1, &up, &dummy, &
c__1, &c__1, &c__0);
unorm = 0.;
if (nsetp != 0)
{
i__1 = nsetp;
for (l = 1; l <= i__1; ++l)
{
/* L90: */
/* Computing 2nd power */
d__1 = a[l + j * a_dim1];
unorm += d__1 * d__1;
}
}
unorm = sqrt(unorm);
d__2 = unorm + (d__1 = a[npp1 + j * a_dim1], fabs(d__1)) * .01; /* --changed */
if (diff_(&d__2, &unorm) > 0.)
{
/* COL J IS SUFFICIENTLY INDEPENDENT. COPY B INTO ZZ, UPDATE ZZ */
/* AND SOLVE FOR ZTEST ( = PROPOSED NEW VALUE FOR X(J) ). */
i__1 = *m;
for (l = 1; l <= i__1; ++l)
{
/* L120: */
zz[l] = b[l];
}
i__1 = npp1 + 1;
h12_(&c__2, &npp1, &i__1, m, &a[j * a_dim1 + 1], &c__1, &up, &zz[1], &
c__1, &c__1, &c__1);
ztest = zz[npp1] / a[npp1 + j * a_dim1];
/* SEE IF ZTEST IS POSITIVE */
if (ztest > 0.)
{
goto L140;
}
}
/* REJECT J AS A CANDIDATE TO BE MOVED FROM SET Z TO SET P. */
/* RESTORE A(NPP1,J), SET W(J)=0., AND LOOP BACK TO TEST DUAL */
/* COEFFS AGAIN. */
a[npp1 + j * a_dim1] = asave;
w[j] = 0.;
goto L60;
/* THE INDEX J=INDEX(IZ) HAS BEEN SELECTED TO BE MOVED FROM */
/* SET Z TO SET P. UPDATE B, UPDATE INDICES, APPLY HOUSEHOLDER */
/* TRANSFORMATIONS TO COLS IN NEW SET Z, ZERO SUBDIAGONAL ELTS IN */
/* COL J, SET W(J)=0. */
L140:
i__1 = *m;
for (l = 1; l <= i__1; ++l)
{
/* L150: */
b[l] = zz[l];
}
index[iz] = index[iz1];
index[iz1] = j;
++iz1;
nsetp = npp1;
++npp1;
if (iz1 <= iz2)
{
i__1 = iz2;
for (jz = iz1; jz <= i__1; ++jz)
{
jj = index[jz];
h12_(&c__2, &nsetp, &npp1, m, &a[j * a_dim1 + 1], &c__1, &up, &a[
jj * a_dim1 + 1], &c__1, mda, &c__1);
/* L160: */
}
}
if (nsetp != *m)
{
i__1 = *m;
for (l = npp1; l <= i__1; ++l)
{
/* L180: */
a[l + j * a_dim1] = 0.;
}
}
w[j] = 0.;
/* SOLVE THE TRIANGULAR SYSTEM. */
/* STORE THE SOLUTION TEMPORARILY IN ZZ(). */
rtnkey = 1;
goto L400;
L200:
/* ****** SECONDARY LOOP BEGINS HERE ****** */
/* ITERATION COUNTER. */
L210:
++iter;
if (iter > itmax)
{
*mode = 3;
/* s_wsfe(&io___22);
do_fio(&c__1, " NNLS quitting on iteration count.", (ftnlen)34);
e_wsfe(); --removed */
goto L350;
}
/* SEE IF ALL NEW CONSTRAINED COEFFS ARE FEASIBLE. */
/* IF NOT COMPUTE ALPHA. */
alpha = 2.;
i__1 = nsetp;
for (ip = 1; ip <= i__1; ++ip)
{
l = index[ip];
if (zz[ip] <= 0.)
{
t = -x[l] / (zz[ip] - x[l]);
if (alpha > t)
{
alpha = t;
jj = ip;
}
}
/* L240: */
}
/* IF ALL NEW CONSTRAINED COEFFS ARE FEASIBLE THEN ALPHA WILL */
/* STILL = 2. IF SO EXIT FROM SECONDARY LOOP TO MAIN LOOP. */
if (alpha == 2.)
{
goto L330;
}
/* OTHERWISE USE ALPHA WHICH WILL BE BETWEEN 0. AND 1. TO */
/* INTERPOLATE BETWEEN THE OLD X AND THE NEW ZZ. */
i__1 = nsetp;
for (ip = 1; ip <= i__1; ++ip)
{
l = index[ip];
x[l] += alpha * (zz[ip] - x[l]);
/* L250: */
}
/* MODIFY A AND B AND THE INDEX ARRAYS TO MOVE COEFFICIENT I */
/* FROM SET P TO SET Z. */
i__ = index[jj];
L260:
x[i__] = 0.;
if (jj != nsetp)
{
++jj;
i__1 = nsetp;
for (j = jj; j <= i__1; ++j)
{
ii = index[j];
index[j - 1] = ii;
g1_(&a[j - 1 + ii * a_dim1], &a[j + ii * a_dim1], &cc, &ss, &a[j
- 1 + ii * a_dim1]);
a[j + ii * a_dim1] = 0.;
i__2 = *n;
for (l = 1; l <= i__2; ++l)
{
if (l != ii)
{
/* Apply procedure G2 (CC,SS,A(J-1,L),A(J,L)) */
temp = a[j - 1 + l * a_dim1];
a[j - 1 + l * a_dim1] = cc * temp + ss * a[j + l * a_dim1];
a[j + l * a_dim1] = -ss * temp + cc * a[j + l * a_dim1];
}
/* L270: */
}
/* Apply procedure G2 (CC,SS,B(J-1),B(J)) */
temp = b[j - 1];
b[j - 1] = cc * temp + ss * b[j];
b[j] = -ss * temp + cc * b[j];
/* L280: */
}
}
npp1 = nsetp;
--nsetp;
--iz1;
index[iz1] = i__;
/* SEE IF THE REMAINING COEFFS IN SET P ARE FEASIBLE. THEY SHOULD */
/* BE BECAUSE OF THE WAY ALPHA WAS DETERMINED. */
/* IF ANY ARE INFEASIBLE IT IS DUE TO ROUND-OFF ERROR. ANY */
/* THAT ARE NONPOSITIVE WILL BE SET TO ZERO */
/* AND MOVED FROM SET P TO SET Z. */
i__1 = nsetp;
for (jj = 1; jj <= i__1; ++jj)
{
i__ = index[jj];
if (x[i__] <= 0.)
{
goto L260;
}
/* L300: */
}
/* COPY B( ) INTO ZZ( ). THEN SOLVE AGAIN AND LOOP BACK. */
i__1 = *m;
for (i__ = 1; i__ <= i__1; ++i__)
{
/* L310: */
zz[i__] = b[i__];
}
rtnkey = 2;
goto L400;
L320:
goto L210;
/* ****** END OF SECONDARY LOOP ****** */
L330:
i__1 = nsetp;
for (ip = 1; ip <= i__1; ++ip)
{
i__ = index[ip];
/* L340: */
x[i__] = zz[ip];
}
/* ALL NEW COEFFS ARE POSITIVE. LOOP BACK TO BEGINNING. */
goto L30;
/* ****** END OF MAIN LOOP ****** */
/* COME TO HERE FOR TERMINATION. */
/* COMPUTE THE NORM OF THE FINAL RESIDUAL VECTOR. */
L350:
sm = 0.;
if (npp1 <= *m)
{
i__1 = *m;
for (i__ = npp1; i__ <= i__1; ++i__)
{
/* L360: */
/* Computing 2nd power */
d__1 = b[i__];
sm += d__1 * d__1;
}
}
else
{
i__1 = *n;
for (j = 1; j <= i__1; ++j)
{
/* L380: */
w[j] = 0.;
}
}
*rnorm = sqrt(sm);
return 0;
/* THE FOLLOWING BLOCK OF CODE IS USED AS AN INTERNAL SUBROUTINE */
/* TO SOLVE THE TRIANGULAR SYSTEM, PUTTING THE SOLUTION IN ZZ(). */
L400:
i__1 = nsetp;
for (l = 1; l <= i__1; ++l)
{
ip = nsetp + 1 - l;
if (l != 1)
{
i__2 = ip;
for (ii = 1; ii <= i__2; ++ii)
{
zz[ii] -= a[ii + jj * a_dim1] * zz[ip + 1];
/* L410: */
}
}
jj = index[ip];
zz[ip] /= a[ip + jj * a_dim1];
/* L430: */
}
switch (rtnkey)
{
case 1: goto L200;
case 2: goto L320;
}
return 0;
} /* nnls_ */
/* Subroutine */ int g1_(doublereal * a, doublereal * b, doublereal * cterm,
doublereal * sterm, doublereal * sig)
{
/* System generated locals */
doublereal d__1;
/* Builtin functions */
/* double sqrt(doublereal), d_sign(doublereal *, doublereal *); --removed */
/* Local variables */
static doublereal xr, yr;
/* COMPUTE ORTHOGONAL ROTATION MATRIX.. */
/* The original version of this code was developed by */
/* Charles L. Lawson and Richard J. Hanson at Jet Propulsion Laboratory */
/* 1973 JUN 12, and published in the book */
/* "SOLVING LEAST SQUARES PROBLEMS", Prentice-HalL, 1974. */
/* Revised FEB 1995 to accompany reprinting of the book by SIAM. */
/* COMPUTE.. MATRIX (C, S) SO THAT (C, S)(A) = (SQRT(A**2+B**2)) */
/* (-S,C) (-S,C)(B) ( 0 ) */
/* COMPUTE SIG = SQRT(A**2+B**2) */
/* SIG IS COMPUTED LAST TO ALLOW FOR THE POSSIBILITY THAT */
/* SIG MAY BE IN THE SAME LOCATION AS A OR B . */
/* ------------------------------------------------------------------ */
/* ------------------------------------------------------------------ */
if (fabs(*a) > fabs(*b))
{
xr = *b / *a;
/* Computing 2nd power */
d__1 = xr;
yr = sqrt(d__1 * d__1 + 1.);
d__1 = 1. / yr;
*cterm = d_sign_(d__1, *a); /* --changed */
*sterm = *cterm * xr;
*sig = fabs(*a) * yr;
return 0;
}
if (*b != 0.)
{
xr = *a / *b;
/* Computing 2nd power */
d__1 = xr;
yr = sqrt(d__1 * d__1 + 1.);
d__1 = 1. / yr;
*sterm = d_sign_(d__1, *b); /* --changed */
*cterm = *sterm * xr;
*sig = fabs(*b) * yr;
return 0;
}
*sig = 0.;
*cterm = 0.;
*sterm = 1.;
return 0;
} /* g1_ */
/* SUBROUTINE H12 (MODE,LPIVOT,L1,M,U,IUE,UP,C,ICE,ICV,NCV) */
/* CONSTRUCTION AND/OR APPLICATION OF A SINGLE */
/* HOUSEHOLDER TRANSFORMATION.. Q = I + U*(U**T)/B */
/* The original version of this code was developed by */
/* Charles L. Lawson and Richard J. Hanson at Jet Propulsion Laboratory */
/* 1973 JUN 12, and published in the book */
/* "SOLVING LEAST SQUARES PROBLEMS", Prentice-HalL, 1974. */
/* Revised FEB 1995 to accompany reprinting of the book by SIAM. */
/* ------------------------------------------------------------------ */
/* Subroutine Arguments */
/* MODE = 1 OR 2 Selects Algorithm H1 to construct and apply a */
/* Householder transformation, or Algorithm H2 to apply a */
/* previously constructed transformation. */
/* LPIVOT IS THE INDEX OF THE PIVOT ELEMENT. */
/* L1,M IF L1 .LE. M THE TRANSFORMATION WILL BE CONSTRUCTED TO */
/* ZERO ELEMENTS INDEXED FROM L1 THROUGH M. IF L1 GT. M */
/* THE SUBROUTINE DOES AN IDENTITY TRANSFORMATION. */
/* U(),IUE,UP On entry with MODE = 1, U() contains the pivot */
/* vector. IUE is the storage increment between elements. */
/* On exit when MODE = 1, U() and UP contain quantities */
/* defining the vector U of the Householder transformation. */
/* on entry with MODE = 2, U() and UP should contain */
/* quantities previously computed with MODE = 1. These will */
/* not be modified during the entry with MODE = 2. */
/* C() ON ENTRY with MODE = 1 or 2, C() CONTAINS A MATRIX WHICH */
/* WILL BE REGARDED AS A SET OF VECTORS TO WHICH THE */
/* HOUSEHOLDER TRANSFORMATION IS TO BE APPLIED. */
/* ON EXIT C() CONTAINS THE SET OF TRANSFORMED VECTORS. */
/* ICE STORAGE INCREMENT BETWEEN ELEMENTS OF VECTORS IN C(). */
/* ICV STORAGE INCREMENT BETWEEN VECTORS IN C(). */
/* NCV NUMBER OF VECTORS IN C() TO BE TRANSFORMED. IF NCV .LE. 0 */
/* NO OPERATIONS WILL BE DONE ON C(). */
/* ------------------------------------------------------------------ */
/* Subroutine */ int h12_(integer * mode, integer * lpivot, integer * l1,
integer * m, doublereal * u, integer * iue, doublereal * up, doublereal *
c__, integer * ice, integer * icv, integer * ncv)
{
/* System generated locals */
integer u_dim1, u_offset, i__1, i__2;
doublereal d__1, d__2;
/* Builtin functions */
/* double sqrt(doublereal); --removed */
/* Local variables */
static doublereal b;
static integer i__, j, i2, i3, i4;
static doublereal cl, sm;
static integer incr;
static doublereal clinv;
/* ------------------------------------------------------------------ */
/* double precision U(IUE,M) */
/* ------------------------------------------------------------------ */
/* Parameter adjustments */
u_dim1 = *iue;
u_offset = 1 + u_dim1;
u -= u_offset;
--c__;
/* Function Body */
if (0 >= *lpivot || *lpivot >= *l1 || *l1 > *m)
{
return 0;
}
cl = (d__1 = u[*lpivot * u_dim1 + 1], fabs(d__1));
if (*mode == 2)
{
goto L60;
}
/* ****** CONSTRUCT THE TRANSFORMATION. ****** */
i__1 = *m;
for (j = *l1; j <= i__1; ++j)
{
/* L10: */
/* Computing MAX */
d__2 = (d__1 = u[j * u_dim1 + 1], fabs(d__1));
cl = std::max(d__2, cl); /* --changed */
}
if (cl <= 0.)
{
goto L130;
}
else
{
goto L20;
}
L20:
clinv = 1. / cl;
/* Computing 2nd power */
d__1 = u[*lpivot * u_dim1 + 1] * clinv;
sm = d__1 * d__1;
i__1 = *m;
for (j = *l1; j <= i__1; ++j)
{
/* L30: */
/* Computing 2nd power */
d__1 = u[j * u_dim1 + 1] * clinv;
sm += d__1 * d__1;
}
cl *= sqrt(sm);
if (u[*lpivot * u_dim1 + 1] <= 0.)
{
goto L50;
}
else
{
goto L40;
}
L40:
cl = -cl;
L50:
*up = u[*lpivot * u_dim1 + 1] - cl;
u[*lpivot * u_dim1 + 1] = cl;
goto L70;
/* ****** APPLY THE TRANSFORMATION I+U*(U**T)/B TO C. ****** */
L60:
if (cl <= 0.)
{
goto L130;
}
else
{
goto L70;
}
L70:
if (*ncv <= 0)
{
return 0;
}
b = *up * u[*lpivot * u_dim1 + 1];
/* B MUST BE NONPOSITIVE HERE. IF B = 0., RETURN. */
if (b >= 0.)
{
goto L130;
}
else
{
goto L80;
}
L80:
b = 1. / b;
i2 = 1 - *icv + *ice * (*lpivot - 1);
incr = *ice * (*l1 - *lpivot);
i__1 = *ncv;
for (j = 1; j <= i__1; ++j)
{
i2 += *icv;
i3 = i2 + incr;
i4 = i3;
sm = c__[i2] * *up;
i__2 = *m;
for (i__ = *l1; i__ <= i__2; ++i__)
{
sm += c__[i3] * u[i__ * u_dim1 + 1];
/* L90: */
i3 += *ice;
}
if (sm != 0.)
{
goto L100;
}
else
{
goto L120;
}
L100:
sm *= b;
c__[i2] += sm * *up;
i__2 = *m;
for (i__ = *l1; i__ <= i__2; ++i__)
{
c__[i4] += sm * u[i__ * u_dim1 + 1];
/* L110: */
i4 += *ice;
}
L120:
{}
}
L130:
return 0;
} /* h12_ */
doublereal diff_(doublereal * x, doublereal * y)
{
/* System generated locals */
doublereal ret_val;
/* Function used in tests that depend on machine precision. */
/* The original version of this code was developed by */
/* Charles L. Lawson and Richard J. Hanson at Jet Propulsion Laboratory */
/* 1973 JUN 7, and published in the book */
/* "SOLVING LEAST SQUARES PROBLEMS", Prentice-HalL, 1974. */
/* Revised FEB 1995 to accompany reprinting of the book by SIAM. */
ret_val = *x - *y;
return ret_val;
} /* diff_ */
/* -- added manually */
double d_sign_(double & a, double & b)
{
double x = (a >= 0 ? a : -a);
return b >= 0 ? x : -x;
}
} // namespace NNLS
} // namespace OpenMS
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