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/*
Theseus - maximum likelihood superpositioning of macromolecular structures
Copyright (C) 2004-2015 Douglas L. Theobald
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.,
59 Temple Place, Suite 330,
Boston, MA 02111-1307 USA
-/_|:|_|_\-
*/
#include <stdio.h>
#include <math.h>
#include <stdlib.h>
#include <float.h>
#include "VecUtils.h"
void
VecPrint(double *vec, const int size)
{
int i;
for (i = 0; i < size; ++i)
printf(" %4d [ % 14.8e ]\n", i, vec[i]);
printf("\n");
fflush(NULL);
}
void
RotVec(double *newvec, double *vec, double **rotmat)
{
int j, k;
for (j = 0; j < 3; ++j)
{
newvec[j] = 0.0;
for (k = 0; k < 3; ++k)
newvec[j] += (vec[k] * rotmat[k][j]);
}
}
void
InvRotVec(double *newvec, double *vec, double **rotmat)
{
int j, k;
for (j = 0; j < 3; ++j)
{
newvec[j] = 0.0;
for (k = 0; k < 3; ++k)
newvec[j] += (vec[k] * rotmat[j][k]);
}
}
void
RotVecAdd(double *newvec, double *vec, double **rotmat)
{
int j, k;
for (j = 0; j < 3; ++j)
for (k = 0; k < 3; ++k)
newvec[j] += (vec[k] * rotmat[k][j]);
}
void
InvRotVecAdd(double *newvec, double *vec, double **rotmat)
{
int j, k;
for (j = 0; j < 3; ++j)
for (k = 0; k < 3; ++k)
newvec[j] += (vec[k] * rotmat[j][k]);
}
int
VecEq(const double *vec1, const double *vec2, const int len, const double tol)
{
int i;
double sum, diff;
sum = 0.0;
for (i = 0; i < len; ++i)
{
diff = (vec1[i] - vec2[i]);
if (vec1[i] + vec2[i] == 0.0)
sum += 0.0;
else
sum += diff * diff / (vec1[i] + vec2[i]);
}
/* printf("\n %e", sqrt(0.5 * sum/len)); */
if (sqrt(0.5 * sum / len) > tol)
return(0);
else
return(1);
}
void
RevVecIp(double *vec, const int len)
{
int i;
double tmp;
for (i = 0; i < (len - 1) / 2; ++i)
{
tmp = vec[i];
vec[i] = vec[len-i-1];
vec[len-i-1] = tmp;
}
}
double
VecSmallest(double *vec, const int len)
{
int i;
double smallest = DBL_MAX;
for (i = 0; i < len; ++i)
if (smallest > vec[i])
smallest = vec[i];
return(smallest);
}
double
VecBiggest(double *vec, const int len)
{
int i;
double biggest = -DBL_MAX;
for (i = 0; i < len; ++i)
if (biggest < vec[i])
biggest = vec[i];
return(biggest);
}
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