/* EXTRAITS DE LA LICENCE
Copyright CEA, contributeurs : Luc BILLARD et Damien
CALISTE, laboratoire L_Sim, (2001-2005)
Adresse mèl :
BILLARD, non joignable par mèl ;
CALISTE, damien P caliste AT cea P fr.
Ce logiciel est un programme informatique servant à visualiser des
structures atomiques dans un rendu pseudo-3D.
Ce logiciel est régi par la licence CeCILL soumise au droit français et
respectant les principes de diffusion des logiciels libres. Vous pouvez
utiliser, modifier et/ou redistribuer ce programme sous les conditions
de la licence CeCILL telle que diffusée par le CEA, le CNRS et l'INRIA
sur le site "http://www.cecill.info".
Le fait que vous puissiez accéder à cet en-tête signifie que vous avez
pris connaissance de la licence CeCILL, et que vous en avez accepté les
termes (cf. le fichier Documentation/licence.fr.txt fourni avec ce logiciel).
*/
/* LICENCE SUM UP
Copyright CEA, contributors : Luc BILLARD et Damien
CALISTE, laboratoire L_Sim, (2001-2005)
E-mail address:
BILLARD, not reachable any more ;
CALISTE, damien P caliste AT cea P fr.
This software is a computer program whose purpose is to visualize atomic
configurations in 3D.
This software is governed by the CeCILL license under French law and
abiding by the rules of distribution of free software. You can use,
modify and/ or redistribute the software under the terms of the CeCILL
license as circulated by CEA, CNRS and INRIA at the following URL
"http://www.cecill.info".
The fact that you are presently reading this means that you have had
knowledge of the CeCILL license and that you accept its terms. You can
find a copy of this licence shipped with this software at Documentation/licence.en.txt.
*/
#include "toolMatrix.h"
#include <visu_tools.h>
#include <math.h>
gboolean matrix_reducePrimitiveVectors(float reduced[6], double full[3][3])
{
float X[3];
float Y[3];
float Z[3];
double u[3], x[3];
int i, j, k;
double deltaIJ;
float norm;
g_return_val_if_fail(reduced && full, FALSE);
DBG_fprintf(stderr, "Matrix : transform full to reduced matrix.\n");
/* Compute the X vector of the new basis, colinear with old x. */
for (i = 0; i < 3; i++)
{
X[i] = (float)full[0][i];
x[i] = full[0][i];
}
/* Compute the Y vector of the new basis, orthogonal to X and
coplanar with X and old y vector. */
u[0] = full[0][1] * full[1][2] - full[0][2] * full[1][1];
u[1] = full[0][2] * full[1][0] - full[0][0] * full[1][2];
u[2] = full[0][0] * full[1][1] - full[0][1] * full[1][0];
/* DBG_fprintf(stderr, "x : %f %f %f\n", x[0], x[1], x[2]); */
/* DBG_fprintf(stderr, "x vect y : %f %f %f\n", u[0], u[1], u[2]); */
deltaIJ = x[0] * u[1] - x[1] * u[0];
if (deltaIJ != 0.)
{
i = 0;
j = 1;
k = 2;
DBG_fprintf(stderr, " Using deltaIJ scheme with (i, j, k)"
" = (%d, %d, %d)\n", i, j, k);
}
else
{
deltaIJ = x[0] * u[2] - x[2] * u[0];
if (deltaIJ != 0.)
{
i = 0;
j = 2;
k = 1;
DBG_fprintf(stderr, " Using deltaIJ scheme with (i, j, k)"
" = (%d, %d, %d)\n", i, j, k);
}
else
{
deltaIJ = x[1] * u[2] - x[2] * u[1];
if (deltaIJ != 0.)
{
i = 1;
j = 2;
k = 0;
DBG_fprintf(stderr, " Using deltaIJ scheme with (i, j, k)"
" = (%d, %d, %d)\n", i, j, k);
}
else
{
g_warning("The input axes are not in 3D.");
return FALSE;
}
}
}
Y[k] = -1.;
Y[i] = (float)((x[k] * u[j] - x[j] * u[k]) / deltaIJ);
Y[j] = (float)((x[i] * u[k] - x[k] * u[i]) / deltaIJ);
/* We need to turn Y if y.Y is negative. */
norm = 0.;
for (i = 0; i < 3; i++)
norm += full[1][i] * Y[i];
if (norm < 0.)
for (i = 0; i < 3; i++)
Y[i] *= -1.;
/* Compute the new Z vector in order to form a direct orthogonal
basis with X and Y. */
Z[0] = X[1] * Y[2] - X[2] * Y[1];
Z[1] = X[2] * Y[0] - X[0] * Y[2];
Z[2] = X[0] * Y[1] - X[1] * Y[0];
/* Normalise the new basis (X, Y, Z). */
norm = 0.;
for (i = 0; i < 3; i++)
norm += X[i] * X[i];
norm = sqrt(norm);
for (i = 0; i < 3; i++)
X[i] /= norm;
norm = 0.;
for (i = 0; i < 3; i++)
norm += Y[i] * Y[i];
norm = sqrt(norm);
for (i = 0; i < 3; i++)
Y[i] /= norm;
norm = 0.;
for (i = 0; i < 3; i++)
norm += Z[i] * Z[i];
norm = sqrt(norm);
for (i = 0; i < 3; i++)
Z[i] /= norm;
/* DBG_fprintf(stderr, "X : %f %f %f\n", X[0], X[1], X[2]); */
/* DBG_fprintf(stderr, "Y : %f %f %f\n", Y[0], Y[1], Y[2]); */
/* DBG_fprintf(stderr, "Z : %f %f %f\n", Z[0], Z[1], Z[2]); */
/* Compute the reduce value for the basis. */
reduced[0] = 0.;
for (i = 0; i < 3; i++)
reduced[0] += X[i] * full[0][i];
reduced[1] = 0.;
for (i = 0; i < 3; i++)
reduced[1] += X[i] * full[1][i];
reduced[2] = 0.;
for (i = 0; i < 3; i++)
reduced[2] += Y[i] * full[1][i];
reduced[3] = 0.;
for (i = 0; i < 3; i++)
reduced[3] += X[i] * full[2][i];
reduced[4] = 0.;
for (i = 0; i < 3; i++)
reduced[4] += Y[i] * full[2][i];
reduced[5] = 0.;
for (i = 0; i < 3; i++)
reduced[5] += Z[i] * full[2][i];
return TRUE;
}
void matrix_productMatrix(float matRes[3][3], float matA[3][3], float matB[3][3])
{
int i, j, k;
for (i = 0; i < 3; i++)
for (j = 0; j < 3; j++)
{
matRes[i][j] = 0.;
for (k = 0; k < 3; k++)
matRes[i][j] += matA[i][k] * matB[k][j];
}
}
void matrix_productVector(float vectRes[3], float mat[3][3], float vect[3])
{
int i, j;
for (i = 0; i < 3; i++)
{
vectRes[i] = 0.;
for (j = 0; j < 3; j++)
vectRes[i] += mat[i][j] * vect[j];
}
}
#ifndef PI
#define PI 3.1415926
#endif
#ifndef RAD2DEG
#define RAD2DEG(x) ((180./PI)*x)
#endif
#ifndef DEG2RAD
#define DEG2RAD(x) ((PI/180.)*x)
#endif
/* s[0] = pho, s[1] = theta, s[2] = phi
c[0] = x, c[1] = y, c[2] = z */
void matrix_cartesianToSpherical(float *spherical, float *cartesian)
{
const float *c = cartesian;
float *s = spherical;
double rho;
double theta;
double phi;
if(c[0] == 0 && c[1] == 0 && c[2] == 0)
{
s[0] = 0;
s[1] = 0;
s[2] = 0;
return;
}
rho = sqrt(c[0]*c[0] + c[1]*c[1] + c[2]*c[2]);
if(c[0] == 0 && c[1] == 0)
theta = (c[2] > 0) ? 0 : PI;
else
theta = acos(c[2]/rho);
if(c[0] != 0)
{
phi = atan(c[1]/c[0]) + PI*((c[0] < 0) ? 1 : 0);
}
else
{
if(c[1] == 0) /* facultatif*/
phi = 0; /* facultatif*/
else if(c[1] > 0)
phi = PI/2;
else
phi = -PI/2;
}
s[0] = rho;
s[1] = /*fModulo(RAD2DEG(theta), 180);*/ RAD2DEG(theta);
s[2] = fModulo(RAD2DEG(phi), 360);
}
void matrix_sphericalToCartesian(float *cartesian, float *spherical)
{
cartesian[0] = spherical[0] * sin(DEG2RAD(spherical[1]))*cos(DEG2RAD(spherical[2]));
cartesian[1] = spherical[0] * sin(DEG2RAD(spherical[1]))*sin(DEG2RAD(spherical[2]));
cartesian[2] = spherical[0] * cos(DEG2RAD(spherical[1]));
return;
}
syntax highlighted by Code2HTML, v. 0.9.1