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/* |
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* Copyright (C) 2000-2009 The Open Molecular Dynamics Engine (OpenMD) project |
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* |
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* Contact: gezelter@openscience.org |
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* |
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* This program is free software; you can redistribute it and/or |
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* modify it under the terms of the GNU Lesser General Public License |
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* as published by the Free Software Foundation; either version 2.1 |
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* of the License, or (at your option) any later version. |
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* All we ask is that proper credit is given for our work, which includes |
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* - but is not limited to - adding the above copyright notice to the beginning |
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* of your source code files, and to any copyright notice that you may distribute |
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* with programs based on this work. |
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* |
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* This program is distributed in the hope that it will be useful, |
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* but WITHOUT ANY WARRANTY; without even the implied warranty of |
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
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* GNU Lesser General Public License for more details. |
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* |
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* You should have received a copy of the GNU Lesser General Public License |
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* along with this program; if not, write to the Free Software |
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* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. |
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* |
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*/ |
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|
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/** |
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* @file StuntDouble.hpp |
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* @author tlin |
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* @date 10/22/2004 |
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* @version 1.0 |
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*/ |
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|
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#ifndef _STUNTDOUBLE_HPP_ |
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#define _STUNTDOUBLE_HPP_ |
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|
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#include <vector> |
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|
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#include "visitors/BaseVisitor.hpp" |
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#include "math/Quaternion.hpp" |
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#include "math/SquareMatrix3.hpp" |
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#include "math/Vector3.hpp" |
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#include "utils/PropertyMap.hpp" |
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#include "brains/SnapshotManager.hpp" |
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namespace OpenMD{ |
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|
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|
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|
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/** |
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* @class StuntDouble StuntDouble.hpp "Primitives/StuntDouble.hpp" |
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* @brief |
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* StuntDouble is a very strange idea. A StuntDouble stands in for |
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* some object that can be manipulated by the Integrators or |
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* Minimizers. Some of the manipulable objects are Atoms, some are |
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* DirectionalAtoms, and some are RigidBodies. StuntDouble |
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* provides an interface for the Integrators and Minimizers to use, |
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* and does some preliminary sanity checking so that the program |
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* doesn't try to do something stupid like torque an Atom |
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* @note the dynamoc data of stuntdouble will be stored outside of the class |
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*/ |
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class StuntDouble{ |
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public: |
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|
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enum ObjectType{ |
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otAtom, |
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otDAtom, |
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otRigidBody |
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}; |
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|
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virtual ~StuntDouble(); |
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|
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/** |
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* Returns the global index of this stuntdouble. |
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* @return the global index of this stuntdouble |
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*/ |
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int getGlobalIndex() { |
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return globalIndex_; |
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} |
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|
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/** |
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* Sets the global index of this stuntdouble. |
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* @param new global index to be set |
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*/ |
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int setGlobalIndex(int index) { |
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return globalIndex_; |
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} |
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|
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/** |
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* Returns the local index of this stuntdouble |
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* @return the local index of this stuntdouble |
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*/ |
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int getLocalIndex() { |
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return localIndex_; |
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} |
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|
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/** |
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* Sets the local index of this stuntdouble |
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* @param index new index to be set |
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*/ |
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void setLocalIndex(int index) { |
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localIndex_ = index; |
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} |
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|
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/** |
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* Tests if this stuntdouble is an atom |
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* @return true is this stuntdouble is an atom(or a directional atom), return false otherwise |
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*/ |
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bool isAtom(){ |
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return objType_ == otAtom || objType_ == otDAtom; |
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} |
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|
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/** |
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* Tests if this stuntdouble is an directional atom |
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* @return true if this stuntdouble is an directional atom, return false otherwise |
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*/ |
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bool isDirectionalAtom(){ |
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return objType_ == otDAtom; |
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} |
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|
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/** |
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* Tests if this stuntdouble is a rigid body. |
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* @return true if this stuntdouble is a rigid body, otherwise return false |
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*/ |
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bool isRigidBody(){ |
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return objType_ == otRigidBody; |
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} |
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|
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/** |
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* Tests if this stuntdouble is a directional one. |
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* @return true is this stuntdouble is a directional atom or a rigid body, return false otherwise |
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*/ |
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bool isDirectional(){ |
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return isDirectionalAtom() || isRigidBody(); |
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} |
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|
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/** |
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* Returns the previous position of this stuntdouble |
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* @return the position of this stuntdouble |
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*/ |
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Vector3d getPrevPos() { |
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return ((snapshotMan_->getPrevSnapshot())->*storage_).position[localIndex_]; |
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} |
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|
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/** |
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* Returns the current position of this stuntdouble |
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* @return the position of this stuntdouble |
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*/ |
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Vector3d getPos() { |
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return ((snapshotMan_->getCurrentSnapshot())->*storage_).position[localIndex_]; |
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} |
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|
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/** |
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* Returns the position of this stuntdouble in specified snapshot |
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* @return the position of this stuntdouble |
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* @param snapshotNo |
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*/ |
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Vector3d getPos(int snapshotNo) { |
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return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).position[localIndex_]; |
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} |
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|
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/** |
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* Sets the previous position of this stuntdouble |
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* @param pos new position |
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* @see #getPos |
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*/ |
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void setPrevPos(const Vector3d& pos) { |
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((snapshotMan_->getPrevSnapshot())->*storage_).position[localIndex_] = pos; |
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} |
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|
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/** |
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* Sets the current position of this stuntdouble |
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* @param pos new position |
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*/ |
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void setPos(const Vector3d& pos) { |
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((snapshotMan_->getCurrentSnapshot())->*storage_).position[localIndex_] = pos; |
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} |
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|
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/** |
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* Sets the position of this stuntdouble in specified snapshot |
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* @param pos position to be set |
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* @param snapshotNo |
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* @see #getPos |
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*/ |
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void setPos(const Vector3d& pos, int snapshotNo) { |
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((snapshotMan_->getSnapshot(snapshotNo))->*storage_).position[localIndex_] = pos; |
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} |
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|
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/** |
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* Returns the previous velocity of this stuntdouble |
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* @return the velocity of this stuntdouble |
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*/ |
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Vector3d getPrevVel() { |
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return ((snapshotMan_->getPrevSnapshot())->*storage_).velocity[localIndex_]; |
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} |
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|
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/** |
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* Returns the current velocity of this stuntdouble |
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* @return the velocity of this stuntdouble |
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*/ |
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Vector3d getVel() { |
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return ((snapshotMan_->getCurrentSnapshot())->*storage_).velocity[localIndex_]; |
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} |
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|
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/** |
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* Returns the velocity of this stuntdouble in specified snapshot |
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* @return the velocity of this stuntdouble |
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* @param snapshotNo |
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*/ |
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Vector3d getVel(int snapshotNo) { |
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return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).velocity[localIndex_]; |
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} |
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|
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/** |
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* Sets the previous velocity of this stuntdouble |
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* @param vel new velocity |
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* @see #getVel |
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*/ |
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void setPrevVel(const Vector3d& vel) { |
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((snapshotMan_->getPrevSnapshot())->*storage_).velocity[localIndex_] = vel; |
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} |
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|
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/** |
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* Sets the current velocity of this stuntdouble |
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* @param vel new velocity |
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*/ |
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void setVel(const Vector3d& vel) { |
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((snapshotMan_->getCurrentSnapshot())->*storage_).velocity[localIndex_] = vel; |
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} |
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|
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/** |
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* Sets the velocity of this stuntdouble in specified snapshot |
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* @param vel velocity to be set |
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* @param snapshotNo |
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* @see #getVel |
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*/ |
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void setVel(const Vector3d& vel, int snapshotNo) { |
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((snapshotMan_->getSnapshot(snapshotNo))->*storage_).velocity[localIndex_] = vel; |
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} |
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|
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/** |
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* Returns the previous rotation matrix of this stuntdouble |
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* @return the rotation matrix of this stuntdouble |
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*/ |
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RotMat3x3d getPrevA() { |
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return ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_]; |
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} |
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|
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/** |
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* Returns the current rotation matrix of this stuntdouble |
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* @return the rotation matrix of this stuntdouble |
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*/ |
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RotMat3x3d getA() { |
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return ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_]; |
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} |
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|
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/** |
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* Returns the rotation matrix of this stuntdouble in specified snapshot |
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* |
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* @return the rotation matrix of this stuntdouble |
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* @param snapshotNo |
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*/ |
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RotMat3x3d getA(int snapshotNo) { |
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return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_]; |
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} |
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|
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/** |
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* Sets the previous rotation matrix of this stuntdouble |
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* @param a new rotation matrix |
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* @see #getA |
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*/ |
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virtual void setPrevA(const RotMat3x3d& a) { |
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((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_] = a; |
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} |
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|
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/** |
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* Sets the current rotation matrix of this stuntdouble |
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* @param a new rotation matrix |
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*/ |
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virtual void setA(const RotMat3x3d& a) { |
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((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = a; |
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} |
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|
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/** |
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* Sets the rotation matrix of this stuntdouble in specified snapshot |
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* @param a rotation matrix to be set |
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* @param snapshotNo |
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* @see #getA |
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*/ |
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virtual void setA(const RotMat3x3d& a, int snapshotNo) { |
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((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_] = a; |
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} |
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|
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/** |
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* Returns the previous angular momentum of this stuntdouble (body-fixed). |
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* @return the angular momentum of this stuntdouble |
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*/ |
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Vector3d getPrevJ() { |
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return ((snapshotMan_->getPrevSnapshot())->*storage_).angularMomentum[localIndex_]; |
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} |
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|
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/** |
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* Returns the current angular momentum of this stuntdouble (body -fixed). |
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* @return the angular momentum of this stuntdouble |
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*/ |
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Vector3d getJ() { |
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return ((snapshotMan_->getCurrentSnapshot())->*storage_).angularMomentum[localIndex_]; |
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} |
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|
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/** |
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* Returns the angular momentum of this stuntdouble in specified snapshot (body-fixed). |
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* @return the angular momentum of this stuntdouble |
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* @param snapshotNo |
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*/ |
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Vector3d getJ(int snapshotNo) { |
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return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).angularMomentum[localIndex_]; |
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} |
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|
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/** |
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* Sets the previous angular momentum of this stuntdouble (body-fixed). |
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* @param angMom new angular momentum |
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* @see #getJ |
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*/ |
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void setPrevJ(const Vector3d& angMom) { |
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((snapshotMan_->getPrevSnapshot())->*storage_).angularMomentum[localIndex_] = angMom; |
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} |
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|
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/** |
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* Sets the current angular momentum of this stuntdouble (body-fixed). |
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* @param angMom new angular momentum |
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*/ |
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void setJ(const Vector3d& angMom) { |
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((snapshotMan_->getCurrentSnapshot())->*storage_).angularMomentum[localIndex_] = angMom; |
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} |
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|
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/** |
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* Sets the angular momentum of this stuntdouble in specified snapshot(body-fixed). |
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* @param angMom angular momentum to be set |
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* @param snapshotNo |
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* @see #getJ |
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*/ |
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void setJ(const Vector3d& angMom, int snapshotNo) { |
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((snapshotMan_->getSnapshot(snapshotNo))->*storage_).angularMomentum[localIndex_] = angMom; |
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} |
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|
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/** |
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* Returns the previous quaternion of this stuntdouble |
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* @return the quaternion of this stuntdouble |
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*/ |
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Quat4d getPrevQ() { |
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return ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_].toQuaternion(); |
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} |
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|
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/** |
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* Returns the current quaternion of this stuntdouble |
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* @return the quaternion of this stuntdouble |
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*/ |
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Quat4d getQ() { |
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return ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_].toQuaternion(); |
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} |
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|
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/** |
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* Returns the quaternion of this stuntdouble in specified snapshot |
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* @return the quaternion of this stuntdouble |
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* @param snapshotNo |
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*/ |
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Quat4d getQ(int snapshotNo) { |
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return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_].toQuaternion(); |
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} |
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|
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/** |
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* Sets the previous quaternion of this stuntdouble |
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* @param q new quaternion |
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* @note actual storage data is rotation matrix |
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*/ |
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void setPrevQ(const Quat4d& q) { |
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((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_] = q; |
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} |
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|
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/** |
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* Sets the current quaternion of this stuntdouble |
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* @param q new quaternion |
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* @note actual storage data is rotation matrix |
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*/ |
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void setQ(const Quat4d& q) { |
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((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = q; |
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} |
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|
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/** |
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* Sets the quaternion of this stuntdouble in specified snapshot |
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* |
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* @param q quaternion to be set |
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* @param snapshotNo |
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* @note actual storage data is rotation matrix |
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*/ |
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void setQ(const Quat4d& q, int snapshotNo) { |
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((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_] = q; |
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} |
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|
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/** |
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* Returns the previous euler angles of this stuntdouble |
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* @return the euler angles of this stuntdouble |
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*/ |
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Vector3d getPrevEuler() { |
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return ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_].toEulerAngles(); |
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} |
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|
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/** |
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* Returns the current euler angles of this stuntdouble |
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* @return the euler angles of this stuntdouble |
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*/ |
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Vector3d getEuler() { |
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return ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_].toEulerAngles(); |
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} |
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|
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/** |
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* Returns the euler angles of this stuntdouble in specified snapshot. |
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* @return the euler angles of this stuntdouble |
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* @param snapshotNo |
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*/ |
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Vector3d getEuler(int snapshotNo) { |
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return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_].toEulerAngles(); |
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} |
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|
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/** |
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* Sets the previous euler angles of this stuntdouble. |
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* @param euler new euler angles |
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* @see #getEuler |
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* @note actual storage data is rotation matrix |
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*/ |
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void setPrevEuler(const Vector3d& euler) { |
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((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_] = euler; |
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} |
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|
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/** |
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* Sets the current euler angles of this stuntdouble |
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* @param euler new euler angles |
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*/ |
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void setEuler(const Vector3d& euler) { |
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((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = euler; |
439 |
} |
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|
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/** |
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* Sets the euler angles of this stuntdouble in specified snapshot |
443 |
* |
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* @param euler euler angles to be set |
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* @param snapshotNo |
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* @note actual storage data is rotation matrix |
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*/ |
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void setEuler(const Vector3d& euler, int snapshotNo) { |
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((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_] = euler; |
450 |
} |
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|
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/** |
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* Returns the previous unit vectors of this stuntdouble |
454 |
* @return the unit vectors of this stuntdouble |
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*/ |
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Vector3d getPrevUnitVector() { |
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return ((snapshotMan_->getPrevSnapshot())->*storage_).unitVector[localIndex_]; |
458 |
} |
459 |
|
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/** |
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* Returns the current unit vectors of this stuntdouble |
462 |
* @return the unit vectors of this stuntdouble |
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*/ |
464 |
Vector3d getUnitVector() { |
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return ((snapshotMan_->getCurrentSnapshot())->*storage_).unitVector[localIndex_]; |
466 |
} |
467 |
|
468 |
/** |
469 |
* Returns the unit vectors of this stuntdouble in specified snapshot |
470 |
* |
471 |
* @return the unit vectors of this stuntdouble |
472 |
* @param snapshotNo |
473 |
*/ |
474 |
Vector3d getUnitVector(int snapshotNo) { |
475 |
return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).unitVector[localIndex_]; |
476 |
} |
477 |
|
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/** |
479 |
* Returns the previous force of this stuntdouble |
480 |
* @return the force of this stuntdouble |
481 |
*/ |
482 |
Vector3d getPrevFrc() { |
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return ((snapshotMan_->getPrevSnapshot())->*storage_).force[localIndex_]; |
484 |
} |
485 |
|
486 |
/** |
487 |
* Returns the current force of this stuntdouble |
488 |
* @return the force of this stuntdouble |
489 |
*/ |
490 |
Vector3d getFrc() { |
491 |
return ((snapshotMan_->getCurrentSnapshot())->*storage_).force[localIndex_]; |
492 |
} |
493 |
|
494 |
/** |
495 |
* Returns the force of this stuntdouble in specified snapshot |
496 |
* |
497 |
* @return the force of this stuntdouble |
498 |
* @param snapshotNo |
499 |
*/ |
500 |
Vector3d getFrc(int snapshotNo) { |
501 |
return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).force[localIndex_]; |
502 |
} |
503 |
|
504 |
/** |
505 |
* Sets the previous force of this stuntdouble |
506 |
* |
507 |
* @param frc new force |
508 |
* @see #getFrc |
509 |
*/ |
510 |
void setPrevFrc(const Vector3d& frc) { |
511 |
((snapshotMan_->getPrevSnapshot())->*storage_).force[localIndex_] = frc; |
512 |
} |
513 |
|
514 |
/** |
515 |
* Sets the current force of this stuntdouble |
516 |
* @param frc new force |
517 |
*/ |
518 |
void setFrc(const Vector3d& frc) { |
519 |
((snapshotMan_->getCurrentSnapshot())->*storage_).force[localIndex_] = frc; |
520 |
} |
521 |
|
522 |
/** |
523 |
* Sets the force of this stuntdouble in specified snapshot |
524 |
* |
525 |
* @param frc force to be set |
526 |
* @param snapshotNo |
527 |
* @see #getFrc |
528 |
*/ |
529 |
void setFrc(const Vector3d& frc, int snapshotNo) { |
530 |
((snapshotMan_->getSnapshot(snapshotNo))->*storage_).force[localIndex_] = frc; |
531 |
} |
532 |
|
533 |
/** |
534 |
* Adds force into the previous force of this stuntdouble |
535 |
* |
536 |
* @param frc new force |
537 |
* @see #getFrc |
538 |
*/ |
539 |
void addPrevFrc(const Vector3d& frc) { |
540 |
((snapshotMan_->getPrevSnapshot())->*storage_).force[localIndex_] += frc; |
541 |
} |
542 |
|
543 |
/** |
544 |
* Adds force into the current force of this stuntdouble |
545 |
* @param frc new force |
546 |
*/ |
547 |
void addFrc(const Vector3d& frc) { |
548 |
((snapshotMan_->getCurrentSnapshot())->*storage_).force[localIndex_] += frc; |
549 |
} |
550 |
|
551 |
/** |
552 |
* Adds force into the force of this stuntdouble in specified snapshot |
553 |
* |
554 |
* @param frc force to be set |
555 |
* @param snapshotNo |
556 |
* @see #getFrc |
557 |
*/ |
558 |
void addFrc(const Vector3d& frc, int snapshotNo) { |
559 |
((snapshotMan_->getSnapshot(snapshotNo))->*storage_).force[localIndex_] += frc; |
560 |
} |
561 |
|
562 |
/** |
563 |
* Returns the previous torque of this stuntdouble |
564 |
* @return the torque of this stuntdouble |
565 |
*/ |
566 |
Vector3d getPrevTrq() { |
567 |
return ((snapshotMan_->getPrevSnapshot())->*storage_).torque[localIndex_]; |
568 |
} |
569 |
|
570 |
/** |
571 |
* Returns the current torque of this stuntdouble |
572 |
* @return the torque of this stuntdouble |
573 |
*/ |
574 |
Vector3d getTrq() { |
575 |
return ((snapshotMan_->getCurrentSnapshot())->*storage_).torque[localIndex_]; |
576 |
} |
577 |
|
578 |
/** |
579 |
* Returns the torque of this stuntdouble in specified snapshot |
580 |
* |
581 |
* @return the torque of this stuntdouble |
582 |
* @param snapshotNo |
583 |
*/ |
584 |
Vector3d getTrq(int snapshotNo) { |
585 |
return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).torque[localIndex_]; |
586 |
} |
587 |
|
588 |
/** |
589 |
* Sets the previous torque of this stuntdouble |
590 |
* |
591 |
* @param trq new torque |
592 |
* @see #getTrq |
593 |
*/ |
594 |
void setPrevTrq(const Vector3d& trq) { |
595 |
((snapshotMan_->getPrevSnapshot())->*storage_).torque[localIndex_] = trq; |
596 |
} |
597 |
|
598 |
/** |
599 |
* Sets the current torque of this stuntdouble |
600 |
* @param trq new torque |
601 |
*/ |
602 |
void setTrq(const Vector3d& trq) { |
603 |
((snapshotMan_->getCurrentSnapshot())->*storage_).torque[localIndex_] = trq; |
604 |
} |
605 |
|
606 |
/** |
607 |
* Sets the torque of this stuntdouble in specified snapshot |
608 |
* |
609 |
* @param trq torque to be set |
610 |
* @param snapshotNo |
611 |
* @see #getTrq |
612 |
*/ |
613 |
void setTrq(const Vector3d& trq, int snapshotNo) { |
614 |
((snapshotMan_->getSnapshot(snapshotNo))->*storage_).torque[localIndex_] = trq; |
615 |
} |
616 |
|
617 |
/** |
618 |
* Adds torque into the previous torque of this stuntdouble |
619 |
* |
620 |
* @param trq new torque |
621 |
* @see #getTrq |
622 |
*/ |
623 |
void addPrevTrq(const Vector3d& trq) { |
624 |
((snapshotMan_->getPrevSnapshot())->*storage_).torque[localIndex_] += trq; |
625 |
} |
626 |
|
627 |
/** |
628 |
* Adds torque into the current torque of this stuntdouble |
629 |
* @param trq new torque |
630 |
*/ |
631 |
void addTrq(const Vector3d& trq) { |
632 |
((snapshotMan_->getCurrentSnapshot())->*storage_).torque[localIndex_] += trq; |
633 |
} |
634 |
|
635 |
/** |
636 |
* Adds torque into the torque of this stuntdouble in specified snapshot |
637 |
* |
638 |
* @param trq torque to be add |
639 |
* @param snapshotNo |
640 |
* @see #getTrq |
641 |
*/ |
642 |
void addTrq(const Vector3d& trq, int snapshotNo) { |
643 |
((snapshotMan_->getSnapshot(snapshotNo))->*storage_).torque[localIndex_] += trq; |
644 |
} |
645 |
|
646 |
|
647 |
/** |
648 |
* Returns the previous z-angle of this stuntdouble |
649 |
* @return the z-angle of this stuntdouble |
650 |
*/ |
651 |
double getPrevZangle() { |
652 |
return ((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_]; |
653 |
} |
654 |
|
655 |
/** |
656 |
* Returns the current z-angle of this stuntdouble |
657 |
* @return the z-angle of this stuntdouble |
658 |
*/ |
659 |
double getZangle() { |
660 |
return ((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_]; |
661 |
} |
662 |
|
663 |
/** |
664 |
* Returns the z-angle of this stuntdouble in specified snapshot |
665 |
* @return the z-angle of this stuntdouble |
666 |
* @param snapshotNo |
667 |
*/ |
668 |
double getZangle(int snapshotNo) { |
669 |
return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_]; |
670 |
} |
671 |
|
672 |
/** |
673 |
* Sets the previous z-angle of this stuntdouble |
674 |
* @param angle new z-angle |
675 |
* @see #getZangle |
676 |
*/ |
677 |
void setPrevZangle(double angle) { |
678 |
((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_] = angle; |
679 |
} |
680 |
|
681 |
/** |
682 |
* Sets the current z-angle of this stuntdouble |
683 |
* @param angle new z-angle |
684 |
*/ |
685 |
void setZangle(double angle) { |
686 |
((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_] = angle; |
687 |
} |
688 |
|
689 |
/** |
690 |
* Sets the z-angle of this stuntdouble in specified snapshot |
691 |
* @param angle z-angle to be set |
692 |
* @param snapshotNo |
693 |
* @see #getZangle |
694 |
*/ |
695 |
void setZangle(double angle, int snapshotNo) { |
696 |
((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_] = angle; |
697 |
} |
698 |
|
699 |
/** |
700 |
* Adds z-angle into the previous z-angle of this stuntdouble |
701 |
* @param angle new z-angle |
702 |
* @see #getZangle |
703 |
*/ |
704 |
void addPrevZangle(double angle) { |
705 |
((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_] += angle; |
706 |
} |
707 |
|
708 |
/** |
709 |
* Adds z-angle into the current z-angle of this stuntdouble |
710 |
* @param angle new z-angle |
711 |
*/ |
712 |
void addZangle(double angle) { |
713 |
((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_] += angle; |
714 |
} |
715 |
|
716 |
/** |
717 |
* Adds z-angle into the z-angle of this stuntdouble in specified snapshot |
718 |
* @param angle z-angle to be add |
719 |
* @param snapshotNo |
720 |
* @see #getZangle |
721 |
*/ |
722 |
void addZangle(double angle, int snapshotNo) { |
723 |
((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_] += angle; |
724 |
} |
725 |
|
726 |
/** Set the force of this stuntdouble to zero */ |
727 |
virtual void zeroForces(); |
728 |
/** |
729 |
* Returns the inertia tensor of this stuntdouble |
730 |
* @return the inertia tensor of this stuntdouble |
731 |
*/ |
732 |
virtual Mat3x3d getI() = 0; |
733 |
|
734 |
/** |
735 |
* Returns the gradient of this stuntdouble |
736 |
* @return the gradient of this stuntdouble |
737 |
*/ |
738 |
virtual std::vector<double> getGrad() = 0; |
739 |
|
740 |
/** |
741 |
* Tests the if this stuntdouble is a linear rigidbody |
742 |
* |
743 |
* @return true if this stuntdouble is a linear rigidbody, otherwise return false |
744 |
* @note atom and directional atom will always return false |
745 |
* |
746 |
* @see #linearAxis |
747 |
*/ |
748 |
bool isLinear() { |
749 |
return linear_; |
750 |
} |
751 |
|
752 |
/** |
753 |
* Returns the linear axis of the rigidbody, atom and directional atom will always return -1 |
754 |
* |
755 |
* @return the linear axis of the rigidbody |
756 |
* |
757 |
* @see #isLinear |
758 |
*/ |
759 |
int linearAxis() { |
760 |
return linearAxis_; |
761 |
} |
762 |
|
763 |
/** Returns the mass of this stuntdouble */ |
764 |
double getMass() { |
765 |
return mass_; |
766 |
} |
767 |
|
768 |
/** |
769 |
* Sets the mass of this stuntdoulbe |
770 |
* @param mass the mass to be set |
771 |
*/ |
772 |
void setMass(double mass) { |
773 |
mass_ = mass; |
774 |
} |
775 |
|
776 |
/** Returns the name of this stuntdouble */ |
777 |
std::string getType(); |
778 |
|
779 |
/** Sets the name of this stuntdouble*/ |
780 |
void setType(const std::string& name); |
781 |
|
782 |
/** |
783 |
* Converts a lab fixed vector to a body fixed vector. |
784 |
* @return body fixed vector |
785 |
* @param v lab fixed vector |
786 |
*/ |
787 |
Vector3d lab2Body(const Vector3d& v); |
788 |
|
789 |
/** |
790 |
* Converts a body fixed vector to a lab fixed vector. |
791 |
* @return corresponding lab fixed vector |
792 |
* @param v body fixed vector |
793 |
*/ |
794 |
Vector3d body2Lab(const Vector3d& v); |
795 |
/** |
796 |
* <p> |
797 |
* The purpose of the Visitor Pattern is to encapsulate an operation that you want to perform on |
798 |
* the elements of a data structure. In this way, you can change the operation being performed |
799 |
* on a structure without the need of changing the classes of the elements that you are operating |
800 |
* on. Using a Visitor pattern allows you to decouple the classes for the data structure and the |
801 |
* algorithms used upon them |
802 |
* </p> |
803 |
* @param v visitor |
804 |
*/ |
805 |
virtual void accept(BaseVisitor* v) = 0; |
806 |
|
807 |
//below functions are just forward functions |
808 |
/** |
809 |
* Adds property into property map |
810 |
* @param genData GenericData to be added into PropertyMap |
811 |
*/ |
812 |
void addProperty(GenericData* genData); |
813 |
|
814 |
/** |
815 |
* Removes property from PropertyMap by name |
816 |
* @param propName the name of property to be removed |
817 |
*/ |
818 |
void removeProperty(std::string& propName); |
819 |
|
820 |
/** |
821 |
* clear all of the properties |
822 |
*/ |
823 |
void clearProperties(); |
824 |
|
825 |
/** |
826 |
* Returns all names of properties |
827 |
* @return all names of properties |
828 |
*/ |
829 |
std::vector<std::string> getPropertyNames(); |
830 |
|
831 |
/** |
832 |
* Returns all of the properties in PropertyMap |
833 |
* @return all of the properties in PropertyMap |
834 |
*/ |
835 |
std::vector<GenericData*> getProperties(); |
836 |
|
837 |
/** |
838 |
* Returns property |
839 |
* @param propName name of property |
840 |
* @return a pointer point to property with propName. If no property named propName |
841 |
* exists, return NULL |
842 |
*/ |
843 |
GenericData* getPropertyByName(std::string& propName); |
844 |
|
845 |
protected: |
846 |
|
847 |
StuntDouble(ObjectType objType, DataStoragePointer storage); |
848 |
|
849 |
StuntDouble(const StuntDouble& sd); |
850 |
StuntDouble& operator=(const StuntDouble& sd); |
851 |
|
852 |
ObjectType objType_; |
853 |
|
854 |
bool linear_; |
855 |
int linearAxis_; |
856 |
|
857 |
DataStoragePointer storage_; |
858 |
SnapshotManager* snapshotMan_; |
859 |
|
860 |
int globalIndex_; |
861 |
int localIndex_; |
862 |
|
863 |
private: |
864 |
|
865 |
std::string name_; |
866 |
|
867 |
double mass_; |
868 |
|
869 |
PropertyMap properties_; |
870 |
}; |
871 |
|
872 |
}//end namespace OpenMD |
873 |
#endif //ifndef _STUNTDOUBLE_HPP_ |