--- branches/development/src/io/DumpWriter.cpp 2012/07/07 03:59:27 1768 +++ branches/development/src/io/DumpWriter.cpp 2012/07/09 14:15:52 1769 @@ -306,7 +306,7 @@ namespace OpenMD { #endif Molecule* mol; - StuntDouble* integrableObject; + StuntDouble* sd; SimInfo::MoleculeIterator mi; Molecule::IntegrableObjectIterator ii; RigidBody::AtomIterator ai; @@ -321,9 +321,9 @@ namespace OpenMD { for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) { - for (integrableObject = mol->beginIntegrableObject(ii); integrableObject != NULL; - integrableObject = mol->nextIntegrableObject(ii)) { - os << prepareDumpLine(integrableObject); + for (sd = mol->beginIntegrableObject(ii); sd != NULL; + sd = mol->nextIntegrableObject(ii)) { + os << prepareDumpLine(sd); } } @@ -333,16 +333,16 @@ namespace OpenMD { os << " \n"; for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) { - for (integrableObject = mol->beginIntegrableObject(ii); integrableObject != NULL; - integrableObject = mol->nextIntegrableObject(ii)) { + for (sd = mol->beginIntegrableObject(ii); sd != NULL; + sd = mol->nextIntegrableObject(ii)) { - int ioIndex = integrableObject->getGlobalIntegrableObjectIndex(); + int ioIndex = sd->getGlobalIntegrableObjectIndex(); // do one for the IO itself - os << prepareSiteLine(integrableObject, ioIndex, 0); + os << prepareSiteLine(sd, ioIndex, 0); - if (integrableObject->isRigidBody()) { + if (sd->isRigidBody()) { - RigidBody* rb = static_cast(integrableObject); + RigidBody* rb = static_cast(sd); int siteIndex = 0; for (atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) { @@ -363,9 +363,9 @@ namespace OpenMD { for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) { - for (integrableObject = mol->beginIntegrableObject(ii); integrableObject != NULL; - integrableObject = mol->nextIntegrableObject(ii)) { - buffer += prepareDumpLine(integrableObject); + for (sd = mol->beginIntegrableObject(ii); sd != NULL; + sd = mol->nextIntegrableObject(ii)) { + buffer += prepareDumpLine(sd); } } @@ -415,16 +415,16 @@ namespace OpenMD { } - std::string DumpWriter::prepareDumpLine(StuntDouble* integrableObject) { + std::string DumpWriter::prepareDumpLine(StuntDouble* sd) { - int index = integrableObject->getGlobalIntegrableObjectIndex(); + int index = sd->getGlobalIntegrableObjectIndex(); std::string type("pv"); std::string line; char tempBuffer[4096]; Vector3d pos; Vector3d vel; - pos = integrableObject->getPos(); + pos = sd->getPos(); if (isinf(pos[0]) || isnan(pos[0]) || isinf(pos[1]) || isnan(pos[1]) || @@ -436,7 +436,7 @@ namespace OpenMD { simError(); } - vel = integrableObject->getVel(); + vel = sd->getVel(); if (isinf(vel[0]) || isnan(vel[0]) || isinf(vel[1]) || isnan(vel[1]) || @@ -453,11 +453,11 @@ namespace OpenMD { vel[0], vel[1], vel[2]); line += tempBuffer; - if (integrableObject->isDirectional()) { + if (sd->isDirectional()) { type += "qj"; Quat4d q; Vector3d ji; - q = integrableObject->getQ(); + q = sd->getQ(); if (isinf(q[0]) || isnan(q[0]) || isinf(q[1]) || isnan(q[1]) || @@ -470,7 +470,7 @@ namespace OpenMD { simError(); } - ji = integrableObject->getJ(); + ji = sd->getJ(); if (isinf(ji[0]) || isnan(ji[0]) || isinf(ji[1]) || isnan(ji[1]) || @@ -490,7 +490,7 @@ namespace OpenMD { if (needForceVector_) { type += "f"; - Vector3d frc = integrableObject->getFrc(); + Vector3d frc = sd->getFrc(); if (isinf(frc[0]) || isnan(frc[0]) || isinf(frc[1]) || isnan(frc[1]) || isinf(frc[2]) || isnan(frc[2]) ) { @@ -504,9 +504,9 @@ namespace OpenMD { frc[0], frc[1], frc[2]); line += tempBuffer; - if (integrableObject->isDirectional()) { + if (sd->isDirectional()) { type += "t"; - Vector3d trq = integrableObject->getTrq(); + Vector3d trq = sd->getTrq(); if (isinf(trq[0]) || isnan(trq[0]) || isinf(trq[1]) || isnan(trq[1]) || isinf(trq[2]) || isnan(trq[2]) ) { @@ -526,7 +526,7 @@ namespace OpenMD { return std::string(tempBuffer); } - std::string DumpWriter::prepareSiteLine(StuntDouble* integrableObject, int ioIndex, int siteIndex) { + std::string DumpWriter::prepareSiteLine(StuntDouble* sd, int ioIndex, int siteIndex) { std::string id; @@ -534,7 +534,7 @@ namespace OpenMD { std::string line; char tempBuffer[4096]; - if (integrableObject->isRigidBody()) { + if (sd->isRigidBody()) { sprintf(tempBuffer, "%10d ", ioIndex); id = std::string(tempBuffer); } else { @@ -544,7 +544,7 @@ namespace OpenMD { if (needFlucQ_) { type += "cw"; - RealType fqPos = integrableObject->getFlucQPos(); + RealType fqPos = sd->getFlucQPos(); if (isinf(fqPos) || isnan(fqPos) ) { sprintf( painCave.errMsg, "DumpWriter detected a numerical error writing the" @@ -555,7 +555,7 @@ namespace OpenMD { sprintf(tempBuffer, " %13e ", fqPos); line += tempBuffer; - RealType fqVel = integrableObject->getFlucQVel(); + RealType fqVel = sd->getFlucQVel(); if (isinf(fqVel) || isnan(fqVel) ) { sprintf( painCave.errMsg, "DumpWriter detected a numerical error writing the" @@ -568,7 +568,7 @@ namespace OpenMD { if (needForceVector_) { type += "g"; - RealType fqFrc = integrableObject->getFlucQFrc(); + RealType fqFrc = sd->getFlucQFrc(); if (isinf(fqFrc) || isnan(fqFrc) ) { sprintf( painCave.errMsg, "DumpWriter detected a numerical error writing the" @@ -583,7 +583,7 @@ namespace OpenMD { if (needElectricField_) { type += "e"; - Vector3d eField= integrableObject->getElectricField(); + Vector3d eField= sd->getElectricField(); if (isinf(eField[0]) || isnan(eField[0]) || isinf(eField[1]) || isnan(eField[1]) || isinf(eField[2]) || isnan(eField[2]) ) { @@ -601,7 +601,7 @@ namespace OpenMD { if (needParticlePot_) { type += "u"; - RealType particlePot = integrableObject->getParticlePot(); + RealType particlePot = sd->getParticlePot(); if (isinf(particlePot) || isnan(particlePot)) { sprintf( painCave.errMsg, "DumpWriter detected a numerical error writing the particle "