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root/OpenMD/branches/development/src/math/SquareMatrix3.hpp
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Comparing trunk/src/math/SquareMatrix3.hpp (file contents):
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC vs.
Revision 1360 by cli2, Mon Sep 7 16:31:51 2009 UTC

# Line 244 | Line 244 | namespace oopse {
244       * @return the euler angles in a vector
245       * @exception invalid rotation matrix
246       * We use so-called "x-convention", which is the most common definition.
247 <     * In this convention, the rotation given by Euler angles (phi, theta, psi), where the first
248 <     * rotation is by an angle phi about the z-axis, the second is by an angle  
249 <     * theta (0 <= theta <= 180)about the x-axis, and thethird is by an angle psi about the
250 <     * z-axis (again).
247 >     * In this convention, the rotation given by Euler angles (phi, theta,
248 >     * psi), where the first rotation is by an angle phi about the z-axis,
249 >     * the second is by an angle theta (0 <= theta <= 180) about the x-axis,
250 >     * and the third is by an angle psi about the z-axis (again).
251       */            
252      Vector3<Real> toEulerAngles() {
253        Vector3<Real> myEuler;
# Line 263 | Line 263 | namespace oopse {
263        ctheta = this->data_[2][2];
264        stheta = sqrt(1.0 - ctheta * ctheta);
265  
266 <      // when sin(theta) is close to 0, we need to consider singularity
267 <      // In this case, we can assign an arbitary value to phi (or psi), and then determine
268 <      // the psi (or phi) or vice-versa. We'll assume that phi always gets the rotation, and psi is 0
269 <      // in cases of singularity.  
270 <      // we use atan2 instead of atan, since atan2 will give us -Pi to Pi.
271 <      // Since 0 <= theta <= 180, sin(theta) will be always non-negative. Therefore, it never
272 <      // change the sign of both of the parameters passed to atan2.
266 >      // when sin(theta) is close to 0, we need to consider
267 >      // singularity In this case, we can assign an arbitary value to
268 >      // phi (or psi), and then determine the psi (or phi) or
269 >      // vice-versa. We'll assume that phi always gets the rotation,
270 >      // and psi is 0 in cases of singularity.
271 >      // we use atan2 instead of atan, since atan2 will give us -Pi to Pi.
272 >      // Since 0 <= theta <= 180, sin(theta) will be always
273 >      // non-negative. Therefore, it will never change the sign of both of
274 >      // the parameters passed to atan2.
275  
276 <      if (fabs(stheta) <= oopse::epsilon){
276 >      if (fabs(stheta) < 1e-6){
277          psi = 0.0;
278          phi = atan2(-this->data_[1][0], this->data_[0][0]);  
279        }
# Line 283 | Line 285 | namespace oopse {
285  
286        //wrap phi and psi, make sure they are in the range from 0 to 2*Pi
287        if (phi < 0)
288 <        phi += M_PI;
288 >        phi += 2.0 * M_PI;
289  
290        if (psi < 0)
291 <        psi += M_PI;
291 >        psi += 2.0 * M_PI;
292  
293        myEuler[0] = phi;
294        myEuler[1] = theta;

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