--- branches/development/src/io/DumpReader.cpp 2012/07/03 18:32:27 1764 +++ branches/development/src/io/DumpReader.cpp 2012/08/29 18:13:11 1787 @@ -226,7 +226,9 @@ namespace OpenMD { needVel_ = false; } - if (storageLayout & DataStorage::dslAmat || storageLayout & DataStorage::dslElectroFrame) { + if (storageLayout & DataStorage::dslAmat || + storageLayout & DataStorage::dslDipole || + storageLayout & DataStorage::dslQuadrupole) { needQuaternion_ = true; } else { needQuaternion_ = false; @@ -352,9 +354,9 @@ namespace OpenMD { int index = tokenizer.nextTokenAsInt(); - StuntDouble* integrableObject = info_->getIOIndexToIntegrableObject(index); + StuntDouble* sd = info_->getIOIndexToIntegrableObject(index); - if (integrableObject == NULL) { + if (sd == NULL) { return; } std::string type = tokenizer.nextToken(); @@ -374,7 +376,7 @@ namespace OpenMD { } } - if (integrableObject->isDirectional()) { + if (sd->isDirectional()) { if (needQuaternion_) { found = type.find("q"); if (found == std::string::npos) { @@ -397,7 +399,7 @@ namespace OpenMD { pos[1] = tokenizer.nextTokenAsDouble(); pos[2] = tokenizer.nextTokenAsDouble(); if (needPos_) { - integrableObject->setPos(pos); + sd->setPos(pos); } break; } @@ -407,14 +409,14 @@ namespace OpenMD { vel[1] = tokenizer.nextTokenAsDouble(); vel[2] = tokenizer.nextTokenAsDouble(); if (needVel_) { - integrableObject->setVel(vel); + sd->setVel(vel); } break; } case 'q' : { Quat4d q; - if (integrableObject->isDirectional()) { + if (sd->isDirectional()) { q[0] = tokenizer.nextTokenAsDouble(); q[1] = tokenizer.nextTokenAsDouble(); @@ -433,19 +435,19 @@ namespace OpenMD { q.normalize(); if (needQuaternion_) { - integrableObject->setQ(q); + sd->setQ(q); } } break; } case 'j' : { Vector3d ji; - if (integrableObject->isDirectional()) { + if (sd->isDirectional()) { ji[0] = tokenizer.nextTokenAsDouble(); ji[1] = tokenizer.nextTokenAsDouble(); ji[2] = tokenizer.nextTokenAsDouble(); if (needAngMom_) { - integrableObject->setJ(ji); + sd->setJ(ji); } } break; @@ -456,7 +458,7 @@ namespace OpenMD { force[0] = tokenizer.nextTokenAsDouble(); force[1] = tokenizer.nextTokenAsDouble(); force[2] = tokenizer.nextTokenAsDouble(); - integrableObject->setFrc(force); + sd->setFrc(force); break; } case 't' : { @@ -465,35 +467,35 @@ namespace OpenMD { torque[0] = tokenizer.nextTokenAsDouble(); torque[1] = tokenizer.nextTokenAsDouble(); torque[2] = tokenizer.nextTokenAsDouble(); - integrableObject->setTrq(torque); + sd->setTrq(torque); break; } case 'u' : { RealType particlePot; particlePot = tokenizer.nextTokenAsDouble(); - integrableObject->setParticlePot(particlePot); + sd->setParticlePot(particlePot); break; } case 'c' : { RealType flucQPos; flucQPos = tokenizer.nextTokenAsDouble(); - integrableObject->setFlucQPos(flucQPos); + sd->setFlucQPos(flucQPos); break; } case 'w' : { RealType flucQVel; flucQVel = tokenizer.nextTokenAsDouble(); - integrableObject->setFlucQVel(flucQVel); + sd->setFlucQVel(flucQVel); break; } case 'g' : { RealType flucQFrc; flucQFrc = tokenizer.nextTokenAsDouble(); - integrableObject->setFlucQFrc(flucQFrc); + sd->setFlucQFrc(flucQFrc); break; } case 'e' : { @@ -502,7 +504,7 @@ namespace OpenMD { eField[0] = tokenizer.nextTokenAsDouble(); eField[1] = tokenizer.nextTokenAsDouble(); eField[2] = tokenizer.nextTokenAsDouble(); - integrableObject->setElectricField(eField); + sd->setElectricField(eField); break; } default: { @@ -538,11 +540,10 @@ namespace OpenMD { */ int index = tokenizer.nextTokenAsInt(); - StuntDouble* integrableObject = info_->getIOIndexToIntegrableObject(index); - if (integrableObject == NULL) { + StuntDouble* sd = info_->getIOIndexToIntegrableObject(index); + if (sd == NULL) { return; } - StuntDouble* sd = integrableObject; /** * Test to see if the next token is an integer or not. If not, @@ -556,7 +557,7 @@ namespace OpenMD { if (i >> siteIndex) { // chew up this token and parse as an int: siteIndex = tokenizer.nextTokenAsInt(); - RigidBody* rb = static_cast(integrableObject); + RigidBody* rb = static_cast(sd); sd = rb->getAtoms()[siteIndex]; }