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#ifndef __RIGIDBODY_HPP__ |
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#define __RIGIDBODY_HPP__ |
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/* |
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* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project |
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* |
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* Contact: oopse@oopse.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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#include <vector> |
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//#include "primitives/Atom.hpp" |
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//#include "types/AtomStamp.hpp" |
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#include "types/RigidBodyStamp.hpp" |
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#include "primitives/StuntDouble.hpp" |
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using namespace std; |
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/** |
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* @file RigidBody.hpp |
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* @author tlin |
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* @date 10/23/2004 |
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* @version 1.0 |
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*/ |
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class Atom; |
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class AtomStamp; |
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#ifndef PRIMITIVES_RIGIDBODY_HPP |
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#define PRIMITIVES_RIGIDBODY_HPP |
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typedef struct { |
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double vec[3]; |
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double& operator[](int index) {return vec[index];} |
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} vec3; |
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#include <vector> |
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typedef struct { |
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double mat[3][3]; |
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double* operator[](int index) {return mat[index];} |
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} mat3x3; |
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#include "primitives/StuntDouble.hpp" |
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#include "primitives/DirectionalAtom.hpp" |
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#include "types/AtomStamp.hpp" |
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namespace oopse{ |
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class RigidBody : public StuntDouble { |
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public: |
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RigidBody(); |
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class RigidBody : public StuntDouble { |
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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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*/ |
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virtual void setPrevA(const RotMat3x3d& a); |
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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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* @note setA will not change the position and rotation matrix of Directional atoms belong to |
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* this rigidbody. If you want to do that, use #updateAtoms |
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*/ |
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virtual void setA(const RotMat3x3d& a); |
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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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public: |
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RigidBody(); |
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//RigidBody(const RigidBody& rb); |
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virtual ~RigidBody(); |
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void addAtom(Atom* at, AtomStamp* ats); |
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/** |
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* Returns the inertia tensor of this stuntdouble |
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* @return the inertia tensor of this stuntdouble |
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*/ |
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virtual Mat3x3d getI(); |
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void getPos( double theP[3] ); |
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void setPos( double theP[3] ); |
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void getVel( double theV[3] ); |
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void setVel( double theV[3] ); |
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/** Sets the internal unit frame of this stuntdouble by three euler angles */ |
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void setElectroFrameFromEuler(double phi, double theta, double psi); |
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|
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/** |
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* Returns the gradient of this stuntdouble |
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* @return the inertia tensor of this stuntdouble |
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* @see #setI |
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*/ |
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virtual std::vector<double> getGrad(); |
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void getFrc( double theF[3] ); |
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void addFrc( double theF[3] ); |
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void zeroForces(); |
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virtual bool isLinear() {return is_linear;} |
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virtual int linearAxis() {return linear_axis;} |
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virtual void accept(BaseVisitor* v); |
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double getMass( void ) { return mass; } |
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void addAtom(Atom* at, AtomStamp* ats); |
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void printAmatIndex( void ); |
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void setEuler( double phi, double theta, double psi ); |
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void getQ( double the_q[4] ); // get the quanternions |
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void setQ( double the_q[4] ); |
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/** calculate the reference coordinates */ |
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void calcRefCoords(); |
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void getA( double the_A[3][3] ); // get the full rotation matrix |
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void setA( double the_A[3][3] ); |
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/** Convert Atomic forces and torques to total forces and torques */ |
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void calcForcesAndTorques(); |
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void getJ( double theJ[3] ); |
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void setJ( double theJ[3] ); |
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/** update the positions of atoms belong to this rigidbody */ |
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void updateAtoms(); |
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virtual void setType(char* type) {strcpy(rbName, type);} |
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virtual char* getType() { return rbName;} |
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Atom* beginAtom(std::vector<Atom*>::iterator& i); |
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void getTrq( double theT[3] ); |
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void addTrq( double theT[3] ); |
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Atom* nextAtom(std::vector<Atom*>::iterator& i); |
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void getI( double the_I[3][3] ); |
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void lab2Body( double r[3] ); |
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void body2Lab( double r[3] ); |
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std::vector<Atom*>::iterator getBeginAtomIter() { |
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return atoms_.begin(); |
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} |
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std::vector<Atom*>::iterator getEndAtomIter() { |
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return atoms_.end(); |
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} |
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double getZangle( ); |
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void setZangle( double zAng ); |
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void addZangle( double zAng ); |
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/** |
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* Returns the atoms of this rigid body |
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* @return the atoms of this rigid body in a vector |
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* @deprecate |
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*/ |
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std::vector<Atom*> getAtoms() { |
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return atoms_; |
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} |
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void calcRefCoords( void ); |
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void doEulerToRotMat(vec3 &euler, mat3x3 &myA ); |
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void calcForcesAndTorques( void ); |
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void updateAtoms( void ); |
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/** |
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* Returns the number of atoms in this rigid body |
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* @return the number of atoms in this rigid body |
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*/ |
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int getNumAtoms() { |
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return atoms_.size(); |
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} |
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//void yourAtomsHaveMoved( void ); |
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/** |
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* Return the position of atom which belongs to this rigid body. |
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* @return true if index is valid otherwise return false |
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* @param pos the position of atom which will be set on return if index is valid |
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* @param index the index of the atom in rigid body's private data member atoms_ |
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*/ |
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bool getAtomPos(Vector3d& pos, unsigned int index); |
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// Four functions added for derivatives with respect to Euler Angles: |
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// (Needed for minimization routines): |
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/** |
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* Return the position of atom which belongs to this rigid body. |
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* @return true if atom belongs to this rigid body,otherwise return false |
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* @param pos position of atom which will be set on return if atom belongs to this rigid body |
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* @param atom the pointer to an atom |
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*/ |
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bool getAtomPos(Vector3d& pos, Atom* atom); |
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void getGrad(double gradient[6] ); |
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void getEulerAngles( double myEuler[3] ); |
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double max(double x, double y); |
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double min(double x, double y); |
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/** |
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* Return the velocity of atom which belongs to this rigid body. |
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* @return true if index is valid otherwise return false |
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* @param vel the velocity of atom which will be set on return if index is valid |
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* @param index the index of the atom in rigid body's private data member atoms_ |
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*/ |
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bool getAtomVel(Vector3d& vel, unsigned int index); |
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/** |
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* Return the velocity of atom which belongs to this rigid body. |
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* @return true if atom belongs to this rigid body,otherwise return false |
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* @param vel velocity of atom which will be set on return if atom belongs to this rigid body |
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* @param atom the pointer to an atom |
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*/ |
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bool getAtomVel(Vector3d& vel, Atom*); |
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// utility routines |
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/** |
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* Return the reference coordinate of atom which belongs to this rigid body. |
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* @return true if index is valid otherwise return false |
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* @param coor the reference coordinate of atom which will be set on return if index is valid |
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* @param index the index of the atom in rigid body's private data member atoms_ |
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*/ |
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bool getAtomRefCoor(Vector3d& coor, unsigned int index); |
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void findCOM( void ); |
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/** |
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* Return the velocity of atom which belongs to this rigid body. |
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* @return true if atom belongs to this rigid body,otherwise return false |
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* @param coor velocity of atom which will be set on return if atom belongs to this rigid body |
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* @param atom the pointer to an atom |
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*/ |
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bool getAtomRefCoor(Vector3d& coor, Atom* atom); |
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virtual void accept(BaseVisitor* v); |
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private: |
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Mat3x3d inertiaTensor_; |
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RotMat3x3d sU_; /**< body fixed standard unit vector */ |
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std::vector<Atom*> atoms_; |
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std::vector<Vector3d> refCoords_; |
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std::vector<RotMat3x3d> refOrients_; |
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}; |
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vector<Atom*> getAtoms() { return myAtoms;} |
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int getNumAtoms() {return myAtoms.size();} |
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}//namepace oopse |
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void getAtomPos(double theP[3], int index); |
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void getAtomVel(double theV[3], int index); |
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void getAtomRefCoor(double pos[3], int index); |
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protected: |
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#endif //PRIMITIVES_RIGIDBODY_HPP |
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double mass; // the total mass |
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double pos[3]; // the position array (center of mass) |
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double vel[3]; // the velocity array (center of mass) |
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double frc[3]; // the force array (center of mass) |
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double trq[3]; // the torque vector ( space fixed ) |
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double ji[3]; // the angular momentum vector (body fixed) |
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double A[3][3]; // the rotation matrix |
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double I[3][3]; // the inertial tensor (body fixed) |
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double sU[3][3]; // the standard unit vectors (body fixed) |
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double zAngle; // the rotation about the z-axis (body fixed) |
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bool is_linear; |
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int linear_axis; |
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double momIntTol; |
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vector<Atom*> myAtoms; // the vector of atoms |
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vector<vec3> refCoords; |
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vector<mat3x3> refOrients; |
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char rbName[100]; //it will eventually be converted into string |
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}; |
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#endif |