--- trunk/src/primitives/RigidBody.cpp 2005/04/15 22:04:00 507 +++ trunk/src/primitives/RigidBody.cpp 2006/02/02 16:49:16 882 @@ -51,11 +51,10 @@ namespace oopse { void RigidBody::setPrevA(const RotMat3x3d& a) { ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_] = a; - //((snapshotMan_->getPrevSnapshot())->*storage_).electroFrame[localIndex_] = a.transpose() * sU_; for (int i =0 ; i < atoms_.size(); ++i){ if (atoms_[i]->isDirectional()) { - atoms_[i]->setPrevA(a * refOrients_[i]); + atoms_[i]->setPrevA(refOrients_[i].transpose() * a); } } @@ -64,11 +63,10 @@ namespace oopse { void RigidBody::setA(const RotMat3x3d& a) { ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = a; - //((snapshotMan_->getCurrentSnapshot())->*storage_).electroFrame[localIndex_] = a.transpose() * sU_; for (int i =0 ; i < atoms_.size(); ++i){ if (atoms_[i]->isDirectional()) { - atoms_[i]->setA(a * refOrients_[i]); + atoms_[i]->setA(refOrients_[i].transpose() * a); } } } @@ -79,7 +77,7 @@ namespace oopse { for (int i =0 ; i < atoms_.size(); ++i){ if (atoms_[i]->isDirectional()) { - atoms_[i]->setA(a * refOrients_[i], snapshotNo); + atoms_[i]->setA(refOrients_[i].transpose() * a, snapshotNo); } } @@ -164,27 +162,25 @@ namespace oopse { } // Moment of Inertia calculation - Mat3x3d Itmp(0.0); - + Mat3x3d Itmp(0.0); for (std::size_t i = 0; i < atoms_.size(); i++) { + Mat3x3d IAtom(0.0); mtmp = atoms_[i]->getMass(); - Itmp -= outProduct(refCoords_[i], refCoords_[i]) * mtmp; + IAtom -= outProduct(refCoords_[i], refCoords_[i]) * mtmp; double r2 = refCoords_[i].lengthSquare(); - Itmp(0, 0) += mtmp * r2; - Itmp(1, 1) += mtmp * r2; - Itmp(2, 2) += mtmp * r2; - } - - //project the inertial moment of directional atoms into this rigid body - for (std::size_t i = 0; i < atoms_.size(); i++) { + IAtom(0, 0) += mtmp * r2; + IAtom(1, 1) += mtmp * r2; + IAtom(2, 2) += mtmp * r2; + Itmp += IAtom; + + //project the inertial moment of directional atoms into this rigid body if (atoms_[i]->isDirectional()) { - RectMatrix Iproject = refOrients_[i].transpose() * atoms_[i]->getI(); - Itmp(0, 0) += Iproject(0, 0); - Itmp(1, 1) += Iproject(1, 1); - Itmp(2, 2) += Iproject(2, 2); - } + Itmp += refOrients_[i].transpose() * atoms_[i]->getI() * refOrients_[i]; + } } + // std::cout << Itmp << std::endl; + //diagonalize Vector3d evals; Mat3x3d::diagonalize(Itmp, evals, sU_); @@ -273,8 +269,7 @@ namespace oopse { if (atoms_[i]->isDirectional()) { dAtom = (DirectionalAtom *) atoms_[i]; - dAtom->setA(a * refOrients_[i]); - //dAtom->rotateBy( A ); + dAtom->setA(refOrients_[i].transpose() * a); } } @@ -301,7 +296,7 @@ namespace oopse { if (atoms_[i]->isDirectional()) { dAtom = (DirectionalAtom *) atoms_[i]; - dAtom->setA(a * refOrients_[i], frame); + dAtom->setA(refOrients_[i].transpose() * a, frame); } } @@ -486,7 +481,7 @@ namespace oopse { "RigidBody error.\n" "\tAtom %s does not have a position specified.\n" "\tThis means RigidBody cannot set up reference coordinates.\n", - ats->getType() ); + ats->getType().c_str() ); painCave.isFatal = 1; simError(); } @@ -506,7 +501,7 @@ namespace oopse { "RigidBody error.\n" "\tAtom %s does not have an orientation specified.\n" "\tThis means RigidBody cannot set up reference orientations.\n", - ats->getType() ); + ats->getType().c_str() ); painCave.isFatal = 1; simError(); }