| 1 |
tim |
1640 |
/* |
| 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 |
|
|
#include "primitives/DirectionalAtom.hpp" |
| 27 |
|
|
|
| 28 |
|
|
namespace oopse { |
| 29 |
|
|
|
| 30 |
|
|
DirectionalAtom::DirectionalAtom() : objType_(otDAtom), storage_(&Snapshot::atomData){ |
| 31 |
|
|
|
| 32 |
|
|
} |
| 33 |
|
|
|
| 34 |
|
|
Mat3x3d DirectionalAtom::getI() { |
| 35 |
|
|
return inertiaTensor_; |
| 36 |
|
|
} |
| 37 |
|
|
|
| 38 |
|
|
void DirectionalAtom::setI(Mat3x3d& I) { |
| 39 |
|
|
inertiaTensor_ = I; |
| 40 |
tim |
1682 |
} |
| 41 |
|
|
|
| 42 |
|
|
void DirectionalAtom::setPrevA(const RotMat3x3d& a) { |
| 43 |
|
|
(snapshotMan_->getPrevSnapshot())->storage_->aMat[localIndex_] = a; |
| 44 |
|
|
(snapshotMan_->getPrevSnapshot())->storage_->unitVector[localIndex_] = a.inverse() * sU_.getColum(2); |
| 45 |
|
|
} |
| 46 |
|
|
|
| 47 |
|
|
|
| 48 |
|
|
void DirectionalAtom::setA(const RotMat3x3d& a) { |
| 49 |
|
|
(snapshotMan_->getCurrentSnapshot())->storage_->aMat[localIndex_] = a; |
| 50 |
|
|
(snapshotMan_->getCurrentSnapshot())->storage_->unitVector[localIndex_] = a.inverse() * sU_.getColum(2); |
| 51 |
tim |
1640 |
} |
| 52 |
tim |
1682 |
|
| 53 |
|
|
void DirectionalAtom::setA(const RotMat3x3d& a, int snapshotNo) { |
| 54 |
|
|
(snapshotMan_->getSnapshot(snapshotNo))->storage_->aMat[localIndex_] = a; |
| 55 |
|
|
(snapshotMan_->getSnapshot(snapshotNo))->storage_->unitVector[localIndex_] = a.inverse() * sU_.getColum(2); |
| 56 |
|
|
} |
| 57 |
tim |
1640 |
|
| 58 |
tim |
1682 |
|
| 59 |
|
|
|
| 60 |
|
|
void DirectionalAtom::setUnitFrameFromEuler(double phi, double theta, double psi) { |
| 61 |
|
|
sU_.setupRotMat(phi,theta,psi); |
| 62 |
|
|
|
| 63 |
|
|
} |
| 64 |
|
|
|
| 65 |
tim |
1640 |
std::vector<double> DirectionalAtom::getGrad() { |
| 66 |
|
|
vector<double> grad(6, 0.0); |
| 67 |
|
|
Vector3d force; |
| 68 |
|
|
Vector3d torque; |
| 69 |
|
|
Vector3d myEuler; |
| 70 |
|
|
double phi, theta, psi; |
| 71 |
|
|
double cphi, sphi, ctheta, stheta; |
| 72 |
|
|
Vector3d ephi; |
| 73 |
|
|
Vector3d etheta; |
| 74 |
|
|
Vector3d epsi; |
| 75 |
|
|
|
| 76 |
|
|
force = getFrc(); |
| 77 |
|
|
torque =getTrq(); |
| 78 |
|
|
myEuler = getA().toEulerAngles(); |
| 79 |
|
|
|
| 80 |
|
|
phi = myEuler[0]; |
| 81 |
|
|
theta = myEuler[1]; |
| 82 |
|
|
psi = myEuler[2]; |
| 83 |
|
|
|
| 84 |
|
|
cphi = cos(phi); |
| 85 |
|
|
sphi = sin(phi); |
| 86 |
|
|
ctheta = cos(theta); |
| 87 |
|
|
stheta = sin(theta); |
| 88 |
|
|
|
| 89 |
|
|
// get unit vectors along the phi, theta and psi rotation axes |
| 90 |
|
|
|
| 91 |
|
|
ephi[0] = 0.0; |
| 92 |
|
|
ephi[1] = 0.0; |
| 93 |
|
|
ephi[2] = 1.0; |
| 94 |
|
|
|
| 95 |
|
|
etheta[0] = cphi; |
| 96 |
|
|
etheta[1] = sphi; |
| 97 |
|
|
etheta[2] = 0.0; |
| 98 |
|
|
|
| 99 |
|
|
epsi[0] = stheta * cphi; |
| 100 |
|
|
epsi[1] = stheta * sphi; |
| 101 |
|
|
epsi[2] = ctheta; |
| 102 |
|
|
|
| 103 |
|
|
//gradient is equal to -force |
| 104 |
|
|
for (int j = 0 ; j<3; j++) |
| 105 |
|
|
grad[j] = -force[j]; |
| 106 |
|
|
|
| 107 |
|
|
for (int j = 0; j < 3; j++ ) { |
| 108 |
|
|
|
| 109 |
|
|
grad[3] += torque[j]*ephi[j]; |
| 110 |
|
|
grad[4] += torque[j]*etheta[j]; |
| 111 |
|
|
grad[5] += torque[j]*epsi[j]; |
| 112 |
|
|
|
| 113 |
|
|
} |
| 114 |
|
|
|
| 115 |
|
|
return grad; |
| 116 |
|
|
} |
| 117 |
|
|
|
| 118 |
|
|
void DirectionalAtom::accept(BaseVisitor* v) { |
| 119 |
|
|
v->visit(this); |
| 120 |
|
|
} |
| 121 |
|
|
|
| 122 |
|
|
} |
| 123 |
|
|
|
