| 1 | tim | 147 | /* | 
| 2 |  |  | * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project | 
| 3 |  |  | * | 
| 4 |  |  | * Contact: oopse@oopse.org | 
| 5 |  |  | * | 
| 6 |  |  | * This program is free software; you can redistribute it and/or | 
| 7 |  |  | * modify it under the terms of the GNU Lesser General Public License | 
| 8 |  |  | * as published by the Free Software Foundation; either version 2.1 | 
| 9 |  |  | * of the License, or (at your option) any later version. | 
| 10 |  |  | * All we ask is that proper credit is given for our work, which includes | 
| 11 |  |  | * - but is not limited to - adding the above copyright notice to the beginning | 
| 12 |  |  | * of your source code files, and to any copyright notice that you may distribute | 
| 13 |  |  | * with programs based on this work. | 
| 14 |  |  | * | 
| 15 |  |  | * This program is distributed in the hope that it will be useful, | 
| 16 |  |  | * but WITHOUT ANY WARRANTY; without even the implied warranty of | 
| 17 |  |  | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
| 18 |  |  | * GNU Lesser General Public License for more details. | 
| 19 |  |  | * | 
| 20 |  |  | * You should have received a copy of the GNU Lesser General Public License | 
| 21 |  |  | * along with this program; if not, write to the Free Software | 
| 22 |  |  | * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA. | 
| 23 |  |  | * | 
| 24 |  |  | */ | 
| 25 |  |  |  | 
| 26 |  |  | /** | 
| 27 |  |  | * @file RigidBody.hpp | 
| 28 |  |  | * @author    tlin | 
| 29 |  |  | * @date  10/23/2004 | 
| 30 |  |  | * @version 1.0 | 
| 31 |  |  | */ | 
| 32 |  |  |  | 
| 33 |  |  | #ifndef PRIMITIVES_RIGIDBODY_HPP | 
| 34 |  |  | #define PRIMITIVES_RIGIDBODY_HPP | 
| 35 |  |  |  | 
| 36 | tim | 190 | #include <vector> | 
| 37 | tim | 147 |  | 
| 38 | tim | 190 | #include "primitives/StuntDouble.hpp" | 
| 39 | tim | 197 | #include "primitives/DirectionalAtom.hpp" | 
| 40 | tim | 147 | namespace oopse{ | 
| 41 | tim | 190 | class RigidBody : public StuntDouble { | 
| 42 | tim | 147 | public: | 
| 43 |  |  | RigidBody(); | 
| 44 | tim | 189 |  | 
| 45 |  |  | /** | 
| 46 |  |  | * Sets  the previous rotation matrix of this stuntdouble | 
| 47 |  |  | * @param a  new rotation matrix | 
| 48 |  |  | */ | 
| 49 |  |  | virtual void setPrevA(const RotMat3x3d& a); | 
| 50 |  |  |  | 
| 51 |  |  | /** | 
| 52 |  |  | * Sets  the current rotation matrix of this stuntdouble | 
| 53 |  |  | * @param a  new rotation matrix | 
| 54 |  |  | */ | 
| 55 |  |  | virtual void setA(const RotMat3x3d& a); | 
| 56 |  |  | /** | 
| 57 |  |  | * Sets  the rotation matrix of this stuntdouble in specified snapshot | 
| 58 |  |  | * @param a rotation matrix to be set | 
| 59 |  |  | * @param snapshotNo | 
| 60 |  |  | * @see #getA | 
| 61 |  |  | */ | 
| 62 |  |  | virtual void setA(const RotMat3x3d& a, int snapshotNo); | 
| 63 |  |  |  | 
| 64 | tim | 147 | /** | 
| 65 |  |  | * Returns the inertia tensor of this stuntdouble | 
| 66 |  |  | * @return the inertia tensor of this stuntdouble | 
| 67 |  |  | */ | 
| 68 |  |  | virtual Mat3x3d getI(); | 
| 69 |  |  |  | 
| 70 |  |  |  | 
| 71 | tim | 190 | /** Sets the internal unit frame of this stuntdouble by three euler angles */ | 
| 72 |  |  | void setUnitFrameFromEuler(double phi, double theta, double psi); | 
| 73 |  |  |  | 
| 74 | tim | 147 | /** | 
| 75 |  |  | * Returns the gradient of this stuntdouble | 
| 76 |  |  | * @return the inertia tensor of this stuntdouble | 
| 77 |  |  | * @see #setI | 
| 78 |  |  | */ | 
| 79 |  |  | virtual std::vector<double> getGrad(); | 
| 80 |  |  |  | 
| 81 |  |  | virtual void accept(BaseVisitor* v); | 
| 82 |  |  |  | 
| 83 | tim | 152 | void addAtom(Atom* atom); | 
| 84 |  |  |  | 
| 85 |  |  | /** calculate the reference coordinates */ | 
| 86 | tim | 147 | void calcRefCoords(); | 
| 87 |  |  |  | 
| 88 |  |  | /** Convert Atomic forces and torques to total forces and torques */ | 
| 89 |  |  | void calcForcesAndTorques(); | 
| 90 |  |  |  | 
| 91 |  |  | /** update the positions of atoms belong to this rigidbody */ | 
| 92 |  |  | void updateAtoms(); | 
| 93 |  |  |  | 
| 94 |  |  | /** | 
| 95 |  |  | * Returns the atoms of this rigid body | 
| 96 |  |  | * @return the atoms of this rigid body in a vector | 
| 97 |  |  | */ | 
| 98 | tim | 190 | std::vector<Atom*> getAtoms() { | 
| 99 |  |  | return atoms_; | 
| 100 |  |  | } | 
| 101 | tim | 147 |  | 
| 102 |  |  | /** | 
| 103 |  |  | * Returns the number of atoms in this rigid body | 
| 104 |  |  | * @return the number of atoms in this rigid body | 
| 105 |  |  | */ | 
| 106 | tim | 190 | int getNumAtoms() { | 
| 107 |  |  | return atoms_.size(); | 
| 108 |  |  | } | 
| 109 | tim | 147 |  | 
| 110 | tim | 190 | /** | 
| 111 |  |  | * Return the position of atom which belongs to this rigid body. | 
| 112 |  |  | * @return true if index is valid otherwise return false | 
| 113 |  |  | * @param pos the position of atom which will be set on return if index is valid | 
| 114 |  |  | * @param index the index of the atom in rigid body's private data member atoms_ | 
| 115 |  |  | */ | 
| 116 |  |  | bool getAtomPos(Vector3d& pos, unsigned int index); | 
| 117 |  |  |  | 
| 118 |  |  | /** | 
| 119 |  |  | * Return the position of atom which belongs to this rigid body. | 
| 120 |  |  | * @return true if atom belongs to this rigid body,otherwise return false | 
| 121 |  |  | * @param pos position of atom which will be set on return if atom belongs to this rigid body | 
| 122 |  |  | * @param atom the pointer to an atom | 
| 123 |  |  | */ | 
| 124 | tim | 147 | bool getAtomPos(Vector3d& pos, Atom* atom); | 
| 125 |  |  |  | 
| 126 | tim | 190 | /** | 
| 127 |  |  | * Return the velocity of atom which belongs to this rigid body. | 
| 128 |  |  | * @return true if index is valid otherwise return false | 
| 129 |  |  | * @param vel the velocity of atom which will be set on return if index is valid | 
| 130 |  |  | * @param index the index of the atom in rigid body's private data member atoms_ | 
| 131 |  |  | */ | 
| 132 |  |  | bool getAtomVel(Vector3d& vel, unsigned int index); | 
| 133 |  |  |  | 
| 134 |  |  | /** | 
| 135 |  |  | * Return the velocity of atom which belongs to this rigid body. | 
| 136 |  |  | * @return true if atom belongs to this rigid body,otherwise return false | 
| 137 |  |  | * @param vel velocity of atom which will be set on return if atom belongs to this rigid body | 
| 138 |  |  | * @param atom the pointer to an atom | 
| 139 |  |  | */ | 
| 140 | tim | 147 | bool getAtomVel(Vector3d& vel, Atom*); | 
| 141 |  |  |  | 
| 142 | tim | 190 | /** | 
| 143 |  |  | * Return the reference coordinate of atom which belongs to this rigid body. | 
| 144 |  |  | * @return true if index is valid otherwise return false | 
| 145 |  |  | * @param coor the reference coordinate of atom which will be set on return if index is valid | 
| 146 |  |  | * @param index the index of the atom in rigid body's private data member atoms_ | 
| 147 |  |  | */ | 
| 148 |  |  | bool getAtomRefCoor(Vector3d& coor, unsigned int index); | 
| 149 |  |  |  | 
| 150 |  |  | /** | 
| 151 |  |  | * Return the velocity of atom which belongs to this rigid body. | 
| 152 |  |  | * @return true if atom belongs to this rigid body,otherwise return false | 
| 153 |  |  | * @param coor velocity of atom which will be set on return if atom belongs to this rigid body | 
| 154 |  |  | * @param atom the pointer to an atom | 
| 155 |  |  | */ | 
| 156 | tim | 147 | bool getAtomRefCoor(Vector3d& coor, Atom* atom); | 
| 157 |  |  |  | 
| 158 |  |  | private: | 
| 159 |  |  |  | 
| 160 | tim | 189 | Mat3x3d inertiaTensor_; | 
| 161 |  |  | RotMat3x3d sU_;               /**< body fixed standard unit vector */ | 
| 162 |  |  |  | 
| 163 | tim | 190 | std::vector<Atom*> atoms_; | 
| 164 |  |  | std::vector<Vector3d> refCoords_; | 
| 165 | tim | 147 | }; | 
| 166 |  |  |  | 
| 167 |  |  | }//namepace oopse | 
| 168 |  |  |  | 
| 169 |  |  | #endif //PRIMITIVES_RIGIDBODY_HPP | 
| 170 |  |  |  |