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// $Id: mmdb_math_rand.cpp $
// =================================================================
//
// CCP4 Coordinate Library: support of coordinate-related
// functionality in protein crystallography applications.
//
// Copyright (C) Eugene Krissinel 2000-2013.
//
// This library is free software: you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License version 3, modified in accordance with the provisions
// of the license to address the requirements of UK law.
//
// You should have received a copy of the modified GNU Lesser
// General Public License along with this library. If not, copies
// may be downloaded from http://www.ccp4.ac.uk/ccp4license.php
//
// This program is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
// GNU Lesser General Public License for more details.
//
// =================================================================
//
// 12.09.13 <-- Date of Last Modification.
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~
// -----------------------------------------------------------------
//
// **** Module : Rand <implementation>
// ~~~~~~~~~
// **** Classes : RandomNumber ( random number generator )
// ~~~~~~~~~
//
// (C) E. Krissinel 1997-2013
//
// =================================================================
//
#include <math.h>
#include "mmdb_math_rand.h"
namespace mmdb {
namespace math {
// =================== RandomNumber ==========================
RandomNumber::RandomNumber ( long IJ, long KL ) {
Init ( IJ,KL );
}
void RandomNumber::Init ( long IJ, long KL ) {
long i,j,k,l,m, ii,jj;
realtype s,t;
iset = 0;
gset = 0.0;
if ((IJ<0) || (IJ>_RN_MAX_IJ) ||
(KL<0) || (KL>_RN_MAX_KL)) return;
i = mod(IJ/177,177) + 2;
j = mod(IJ,177) + 2;
k = mod(KL/169,178) + 1;
l = mod(KL,169);
for (ii=0;ii<97;ii++) {
s = 0.0;
t = 0.5;
for (jj=1;jj<=24;jj++) {
m = mod(mod(i*j,179)*k,179);
i = j;
j = k;
k = m;
l = mod(53*l+1,169);
if (mod(l*m,64)>=32) s += t;
t *= 0.5;
}
U[ii] = s;
}
C = 362436.0 / 16777216.0;
CD = 7654321.0 / 16777216.0;
CM = 16777213.0 / 16777216.0;
I97 = 96;
J97 = 32;
}
// uniform [0..1] random number generator
realtype RandomNumber::random() {
realtype uni;
uni = U[I97] - U[J97];
if (uni<0.0) uni += 1.0;
U[I97] = uni;
I97--;
if (I97<0) I97 = 96;
J97--;
if (J97<0) J97 = 96;
C -= CD;
if (C<0.0) C += CM;
uni -= C;
if (uni<0.0) uni += 1.0;
return uni;
}
// uniform [-1..1] random number generator
realtype RandomNumber::srandom() {
realtype uni;
uni = U[I97] - U[J97];
if (uni<0.0) uni += 1.0;
U[I97] = uni;
I97--;
if (I97<0) I97 = 96;
J97--;
if (J97<0) J97 = 96;
C -= CD;
if (C<0.0) C += CM;
uni -= C;
if (uni<0.0) uni += 1.0;
return 2.0*uni - 1.0;
}
// gaussian random numbers
realtype RandomNumber::gauss_rnd() {
realtype v1,v2,r,fac;
if (iset==0) {
do {
v1 = srandom();
v2 = srandom();
r = v1*v1 + v2*v2;
} while ((r>=1.0) || (r==0.0));
fac = sqrt(-2.0*log(r)/r);
gset = v1*fac;
iset = 1;
return v2*fac;
} else {
iset = 0;
return gset;
}
}
void RandomNumber::write ( io::RFile f ) {
int Version=1;
f.WriteFile ( &Version,sizeof(Version) );
f.WriteFile ( &I97 ,sizeof(I97) );
f.WriteFile ( &J97 ,sizeof(J97) );
f.WriteFile ( U ,sizeof(U) );
f.WriteFile ( &C ,sizeof(C) );
f.WriteFile ( &CD ,sizeof(CD) );
f.WriteFile ( &CM ,sizeof(CM) );
f.WriteFile ( &gset ,sizeof(gset) );
f.WriteFile ( &iset ,sizeof(iset) );
}
void RandomNumber::read ( io::RFile f ) {
int Version;
f.ReadFile ( &Version,sizeof(Version) );
f.ReadFile ( &I97 ,sizeof(I97) );
f.ReadFile ( &J97 ,sizeof(J97) );
f.ReadFile ( U ,sizeof(U) );
f.ReadFile ( &C ,sizeof(C) );
f.ReadFile ( &CD ,sizeof(CD) );
f.ReadFile ( &CM ,sizeof(CM) );
f.ReadFile ( &gset ,sizeof(gset) );
f.ReadFile ( &iset ,sizeof(iset) );
}
} // namespace math
} // namespace mmdb
/*
static int m1 = 259200;
static int ia1 = 7141;
static int ic1 = 54773;
static realtype rm1 = 1.0/259200.0;
static int m2 = 134456;
static int ia2 = 8121;
static int ic2 = 28411;
static realtype rm2 = 1.0/134456.0;
static int m3 = 243000;
static int ia3 = 4561;
static int ic3 = 51349;
static int ix1 = 0;
static int ix2 = 0;
static int ix3 = 0;
static realtype R[97];
void randomize ( int iseed ) {
int j;
RndInit = True;
ix1 = mod(ic1-iseed,m1);
ix1 = mod(ia1*ix1+ic1,m1);
ix2 = mod(ix1,m2);
ix1 = mod(ia1*ix1+ic1,m1);
ix3 = mod(ix1,m3);
for (j=0;j<97;j++) {
ix1 = mod(ia1*ix1+ic1,m1);
ix2 = mod(ia2*ix2+ic2,m2);
R[j] = (ix1+ix2*rm2)*rm1;
}
}
realtype rand() {
int j;
realtype rnd;
if (!RndInit) randomize();
ix1 = mod(ia1*ix1+ic1,m1);
ix2 = mod(ia2*ix2+ic2,m2);
ix3 = mod(ia3*ix3+ic3,m3);
j = 1 + (97*ix3)/m3;
j = IMax(j,1);
j = IMin(j,97);
rnd = R[j-1];
R[j] = (ix1+ix2*rm2)*rm1;
return rnd;
}
*/
// ===========================================================
// End of Random_N
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