ViewVC Help

View File | Revision Log | Show Annotations | View Changeset | Root Listing

root/OpenMD/branches/development/src/math/Quaternion.hpp

Comparing:
trunk/src/math/Quaternion.hpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/math/Quaternion.hpp (file contents), Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 UTC

#	Line 35 | Line 35
35		*
36		* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	<	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4]  Vardeman & Gezelter, in progress (2009).
38	>	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39	>	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		/**
#	Line 48 | Line 49
49
50		#ifndef MATH_QUATERNION_HPP
51		#define MATH_QUATERNION_HPP
52	+	#include "config.h"
53	+	#include <cmath>
54
55		#include "math/Vector3.hpp"
56		#include "math/SquareMatrix.hpp"
#	Line 254 | Line 257 | namespace OpenMD{
257		return rotation angle from -PI to PI
258		*/
259		inline Real get_rotation_angle() const{
260	<	if( w < (Real)0.0 )
260	>	if( w() < (Real)0.0 )
261		return 2.0*atan2(-sqrt( x()*x() + y()*y() + z()*z() ), -w() );
262		else
263		return 2.0*atan2( sqrt( x()*x() + y()*y() + z()*z() ),  w() );
#	Line 312 | Line 315 | namespace OpenMD{
315		c.z());
316
317		this->normalize();    // if "from" or "to" not unit, normalize quat
318	<	w += 1.0f;            // reducing angle to halfangle
319	<	if( w <= 1e-6 ) {     // angle close to PI
318	>	w() += 1.0f;            // reducing angle to halfangle
319	>	if( w() <= 1e-6 ) {     // angle close to PI
320		if( ( from.z()*from.z() ) > ( from.x()*from.x() ) ) {
321	<	this->data_[0] =  w;
321	>	this->data_[0] =  w();
322		this->data_[1] =  0.0;       //cross(from , Vector3d(1,0,0))
323		this->data_[2] =  from.z();
324		this->data_[3] = -from.y();
325		} else {
326	<	this->data_[0] =  w;
326	>	this->data_[0] =  w();
327		this->data_[1] =  from.y();  //cross(from, Vector3d(0,0,1))
328		this->data_[2] = -from.x();
329		this->data_[3] =  0.0;

Comparing:
trunk/src/math/Quaternion.hpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/math/Quaternion.hpp (property svn:keywords), Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

Diff Legend

–	Removed lines
+	Added lines
<	Changed lines
>	Changed lines