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root/OpenMD/trunk/src/math/Triangle.hpp

Comparing trunk/src/math/Triangle.hpp (file contents):
Revision 1325 by chuckv, Fri Dec 5 16:20:39 2008 UTC vs.
Revision 1792 by gezelter, Fri Aug 31 17:29:35 2012 UTC

#	Line 1 | Line 1
1	<	/* Copyright (c) 2008 The University of Notre Dame. All Rights Reserved.
1	>	/* Copyright (c) 2008, 2010 The University of Notre Dame. All Rights Reserved.
2		*
3		* The University of Notre Dame grants you ("Licensee") a
4		* non-exclusive, royalty free, license to use, modify and
5		* redistribute this software in source and binary code form, provided
6		* that the following conditions are met:
7		*
8	<	* 1. Acknowledgement of the program authors must be made in any
9	<	*    publication of scientific results based in part on use of the
10	<	*    program.  An acceptable form of acknowledgement is citation of
11	<	*    the article in which the program was described (Matthew
12	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
13	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
14	<	*    Parallel Simulation Engine for Molecular Dynamics,"
15	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
16	<	*
17	<	* 2. Redistributions of source code must retain the above copyright
8	>	* 1. Redistributions of source code must retain the above copyright
9		*    notice, this list of conditions and the following disclaimer.
10		*
11	<	* 3. Redistributions in binary form must reproduce the above copyright
11	>	* 2. Redistributions in binary form must reproduce the above copyright
12		*    notice, this list of conditions and the following disclaimer in the
13		*    documentation and/or other materials provided with the
14		*    distribution.
#	Line 37 | Line 28
28		* University of Notre Dame has been advised of the possibility of
29		* such damages.
30		*
31	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
32	+	* research, please cite the appropriate papers when you publish your
33	+	* work.  Good starting points are:
34	+	*
35	+	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
36	+	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
37	+	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
38	+	* [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
39	+	* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
40		*
41		*  Triangle.hpp
42		*
43	<	*  Purpose: Provide basic triangle class for oopse. Hates Particle class.
43	>	*  Purpose: Provide basic triangle class for OpenMD. Hates Particle class.
44		*
45		*  Created by Charles F. Vardeman II on 29 July 2008.
46		*  @author  Charles F. Vardeman II
47	<	*  @version $Id: Triangle.hpp,v 1.4 2008-12-05 16:20:39 chuckv Exp $
47	>	*  @version $Id$
48		*
49		*/
50
#	Line 53 | Line 53
53		#define MATH_FACET_HPP
54
55		#include "math/Vector3.hpp"
56	+	#include "math/SquareMatrix3.hpp"
57		#include "config.h"
58		#include "primitives/StuntDouble.hpp"
59
60		#include <vector>
61
62
63	<	namespace oopse {
63	>	namespace OpenMD {
64
65		/**
66		* @class Triangle
67		*
68	<	* Triangle provides geometric data to oopse. Triangle includes
68	>	* Triangle provides geometric data to OpenMD. Triangle includes
69		* information about the normal, centroid and the atoms
70		* that belong to this triangle.
71		*/
#	Line 78 | Line 79 | namespace oopse {
79		normal_ = normal;
80		HaveNormal_ = true;
81		}
82	+	void setUnitNormal(Vector3d normal) {
83	+	unitnormal_ = normal;
84	+	HaveUnitNormal_ = true;
85	+	}
86
87		void addVertices(Vector3d P1, Vector3d P2, Vector3d P3);
88
#	Line 99 | Line 104 | namespace oopse {
104		return computeNormal();
105		}
106		}
107	+	Vector3d getUnitNormal() {
108	+	if (HaveUnitNormal_) {
109	+	return unitnormal_;
110	+	} else {
111	+	return computeUnitNormal();
112	+	}
113	+	}
114
115		RealType getArea() {
116		if(HaveArea_){
#	Line 111 | Line 123 | namespace oopse {
123		RealType computeArea();
124		Vector3d computeNormal();
125		Vector3d computeCentroid();
126	+	Vector3d computeUnitNormal();
127
128		void setCentroid(Vector3d centroid) {
129		centroid_ = centroid;
#	Line 176 | Line 189 | namespace oopse {
189		RealType t2 = -a1 + b1 + c1;
190		RealType t3 =  a1 - b1 + c1;
191		RealType t4 =  a1 + b1 - c1;
179	–	RealType junk = t1*t2*t3*t4;
192		return a1 * b1 * c1 / sqrt(t1 * t2 * t3 * t4);
193		}
194
195	+	Mat3x3d computeHydrodynamicTensor(RealType viscosity);
196
197
198		private:
199	+	Mat3x3d hydro_tensor(const Vector3d& ri, const Vector3d& rj0, const Vector3d& rj1, const Vector3d& rj2,RealType s, RealType viscosity);
200	+
201		/* Local Indentity of vertex atoms in pos array*/
202		std::vector <StuntDouble*> vertexSD_;
203		Vector3d normal_;
204	+	Vector3d unitnormal_;
205		Vector3d centroid_;
206		Vector3d vertices_[3];
207	<	RealType area_;
207	>	RealType area_;
208		RealType mass_;
209		Vector3d facetVelocity_;
210		//Length of triangle sides
#	Line 196 | Line 212 | namespace oopse {
212		RealType alpha_,beta_,gamma_;
213		bool HaveArea_;
214		bool HaveNormal_;
215	+	bool HaveUnitNormal_;
216		bool HaveCentroid_;
217
218		}; // End class Triangle
219
220
221
222	<	} //End Namespace oopse
222	>	} //end namespace OpenMD
223
224
225

Comparing trunk/src/math/Triangle.hpp (property svn:keywords):
Revision 1325 by chuckv, Fri Dec 5 16:20:39 2008 UTC vs.
Revision 1792 by gezelter, Fri Aug 31 17:29:35 2012 UTC

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