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/* Copyright (c) 2008 The University of Notre Dame. All Rights Reserved. |
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/* Copyright (c) 2008, 2010 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [4] Vardeman & Gezelter, in progress (2009). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
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* |
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– |
* |
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* Triangle.hpp |
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* |
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* Purpose: Provide basic triangle class for OpenMD. Hates Particle class. |
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* |
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* Created by Charles F. Vardeman II on 29 July 2008. |
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* @author Charles F. Vardeman II |
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* @version $Id: Triangle.hpp,v 1.6 2009-11-25 20:02:01 gezelter Exp $ |
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* @version $Id$ |
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* |
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*/ |
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normal_ = normal; |
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HaveNormal_ = true; |
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} |
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void setUnitNormal(Vector3d normal) { |
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unitnormal_ = normal; |
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HaveUnitNormal_ = true; |
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} |
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void addVertices(Vector3d P1, Vector3d P2, Vector3d P3); |
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return computeNormal(); |
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} |
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} |
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Vector3d getUnitNormal() { |
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if (HaveUnitNormal_) { |
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return unitnormal_; |
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} else { |
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return computeUnitNormal(); |
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} |
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} |
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RealType getArea() { |
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if(HaveArea_){ |
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RealType computeArea(); |
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Vector3d computeNormal(); |
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Vector3d computeCentroid(); |
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Vector3d computeUnitNormal(); |
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void setCentroid(Vector3d centroid) { |
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centroid_ = centroid; |
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RealType t2 = -a1 + b1 + c1; |
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RealType t3 = a1 - b1 + c1; |
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RealType t4 = a1 + b1 - c1; |
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RealType junk = t1*t2*t3*t4; |
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return a1 * b1 * c1 / sqrt(t1 * t2 * t3 * t4); |
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} |
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/* Local Indentity of vertex atoms in pos array*/ |
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std::vector <StuntDouble*> vertexSD_; |
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Vector3d normal_; |
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Vector3d unitnormal_; |
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Vector3d centroid_; |
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Vector3d vertices_[3]; |
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RealType area_; |
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RealType area_; |
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RealType mass_; |
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Vector3d facetVelocity_; |
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//Length of triangle sides |
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RealType alpha_,beta_,gamma_; |
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bool HaveArea_; |
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bool HaveNormal_; |
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bool HaveUnitNormal_; |
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bool HaveCentroid_; |
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}; // End class Triangle |