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/*
$Id: mkRandomState.cc,v 1.6 2009/05/08 23:02:14 rhuey Exp $
AutoDock
Copyright (C) 2009 The Scripps Research Institute. All rights reserved.
AutoDock is a Trade Mark of The Scripps Research Institute.
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.
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 General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <math.h>
#include <stdlib.h>
#include "structs.h"
#include "mkRandomState.h"
State mkRandomState( int ntor,
Real F_TorConRange[MAX_TORS][MAX_TOR_CON][2],
int N_con[MAX_TORS],
GridMapSetInfo *info)
{
State now;
register int i;
double t;
int I_ranCon;
double x0, r1, r2, t1, t2;
Real a, b;
now.ntor = ntor;
/*
** Translation
*/
now.T.x = random_range( info->lo[X], info->hi[X]);
now.T.y = random_range( info->lo[Y], info->hi[Y]);
now.T.z = random_range( info->lo[Z], info->hi[Z]);
/*
** Quaternion angular displacement
*/
/*
** This should produce a uniformly distributed quaternion, according to
** Shoemake, Graphics Gems III.6, pp.124-132, "Uniform Random Rotations",
** published by Academic Press, Inc., (1992)
*/
x0 = local_random();
r1 = random_sign * sqrt( 1 - x0 );
t1 = TWOPI * local_random();
now.Q.x = sin( t1 ) * r1;
now.Q.y = cos( t1 ) * r1;
r2 = random_sign * sqrt( x0 );
t2 = TWOPI * local_random();
now.Q.z = sin( t2 ) * r2;
now.Q.w = cos( t2 ) * r2;
for (i=0; i<ntor; i++) {
if (N_con[i] > 0) {
if (N_con[i] > 1) {
/* If N_con was 2, I_ranCon could be 0 or 1, never 2 */
/* Select a random constraint */
I_ranCon = (int)((double)N_con[i] * local_random());
} else {
/* Hobson's choice...
*/
I_ranCon = 0;
}
a = F_TorConRange[i][I_ranCon][LOWER];
b = F_TorConRange[i][I_ranCon][UPPER];
t = random_range(a,b);
now.tor[i] = WrpModRad(t);
} else {
now.tor[i] = random_range( -PI, PI );
}
}/*i*/
return( now );
}
/* EOF */
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