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/* |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. Redistributions of source code must retain the above copyright |
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* 1. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
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* 2. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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* |
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* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
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* research, please cite the appropriate papers when you publish your |
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* work. Good starting points are: |
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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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|
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/** |
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* @file DataStorage.cpp |
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* @author tlin |
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* @date 10/26/2004 |
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* @time 11:56am |
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* @version 1.0 |
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*/ |
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/** |
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* @file DataStorage.cpp |
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* @author tlin |
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* @date 10/26/2004 |
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* @version 1.0 |
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*/ |
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|
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#include "brains/DataStorage.hpp" |
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using namespace std; |
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namespace OpenMD { |
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|
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DataStorage::DataStorage() : size_(0), storageLayout_(0){ |
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|
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DataStorage::DataStorage() : size_(0), storageLayout_(0){ |
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} |
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|
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} |
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|
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DataStorage::DataStorage(int size, int storageLayout) : size_(size){ |
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DataStorage::DataStorage(int size, int storageLayout) : size_(size){ |
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setStorageLayout(storageLayout); |
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resize(size); |
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} |
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} |
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|
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int DataStorage::getSize() { |
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int DataStorage::getSize() { |
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|
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if (storageLayout_ & dslPosition && position.size() != size_) { |
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//error |
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std::cerr << "size does not match"<< std::endl; |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslVelocity && velocity.size() != size_) { |
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//error |
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std::cerr << "size does not match"<< std::endl; |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslForce && force.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslAmat && aMat.size() != size_) { |
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//error |
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std::cerr << "size does not match"<< std::endl; |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslAngularMomentum && angularMomentum.size() != size_) { |
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//error |
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std::cerr << "size does not match"<< std::endl; |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslElectroFrame && electroFrame.size() != size_) { |
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//error |
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std::cerr << "size does not match"<< std::endl; |
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if (storageLayout_ & dslTorque && torque.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslZAngle && zAngle.size() != size_) { |
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//error |
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std::cerr << "size does not match"<< std::endl; |
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if (storageLayout_ & dslParticlePot && particlePot.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslForce && force.size() != size_) { |
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//error |
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std::cerr << "size does not match"<< std::endl; |
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if (storageLayout_ & dslDensity && density.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslTorque && torque.size() != size_) { |
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//error |
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std::cerr << "size does not match"<< std::endl; |
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if (storageLayout_ & dslFunctional && functional.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslFunctionalDerivative && functionalDerivative.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslDipole && dipole.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslQuadrupole && quadrupole.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslElectricField && electricField.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslSkippedCharge && skippedCharge.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslFlucQPosition && flucQPos.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslFlucQVelocity && flucQVel.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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if (storageLayout_ & dslFlucQForce && flucQFrc.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
149 |
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|
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if (storageLayout_ & dslSitePotential && sitePotential.size() != size_) { |
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//error |
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cerr << "size does not match"<< endl; |
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} |
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|
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return size_; |
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|
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} |
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} |
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|
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void DataStorage::resize(int newSize) { |
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void DataStorage::resize(int newSize) { |
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|
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if (storageLayout_ & dslPosition) { |
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internalResize(position, newSize); |
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internalResize(position, newSize); |
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} |
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|
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if (storageLayout_ & dslVelocity) { |
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internalResize(velocity, newSize); |
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internalResize(velocity, newSize); |
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} |
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|
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if (storageLayout_ & dslForce) { |
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internalResize(force, newSize); |
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} |
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|
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if (storageLayout_ & dslAmat) { |
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internalResize(aMat, newSize); |
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> |
internalResize(aMat, newSize); |
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} |
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|
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if (storageLayout_ & dslAngularMomentum) { |
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internalResize(angularMomentum, newSize); |
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> |
internalResize(angularMomentum, newSize); |
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|
} |
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|
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if (storageLayout_ & dslTorque) { |
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internalResize(torque, newSize); |
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} |
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|
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if (storageLayout_ & dslElectroFrame) { |
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internalResize(electroFrame, newSize); |
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if (storageLayout_ & dslParticlePot) { |
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> |
internalResize(particlePot, newSize); |
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} |
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|
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< |
if (storageLayout_ & dslZAngle) { |
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< |
internalResize(zAngle, newSize); |
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> |
|
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> |
if (storageLayout_ & dslDensity) { |
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> |
internalResize(density, newSize); |
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} |
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|
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if (storageLayout_ & dslForce) { |
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internalResize(force, newSize); |
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> |
if (storageLayout_ & dslFunctional) { |
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> |
internalResize(functional, newSize); |
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} |
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|
|
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< |
if (storageLayout_ & dslTorque) { |
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< |
internalResize(torque, newSize); |
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> |
if (storageLayout_ & dslFunctionalDerivative) { |
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> |
internalResize(functionalDerivative, newSize); |
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|
} |
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|
|
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+ |
if (storageLayout_ & dslDipole) { |
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+ |
internalResize(dipole, newSize); |
203 |
+ |
} |
204 |
+ |
|
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+ |
if (storageLayout_ & dslQuadrupole) { |
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+ |
internalResize(quadrupole, newSize); |
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+ |
} |
208 |
+ |
|
209 |
+ |
if (storageLayout_ & dslElectricField) { |
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+ |
internalResize(electricField, newSize); |
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} |
212 |
+ |
|
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if (storageLayout_ & dslSkippedCharge) { |
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+ |
internalResize(skippedCharge, newSize); |
215 |
+ |
} |
216 |
+ |
|
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+ |
if (storageLayout_ & dslFlucQPosition) { |
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+ |
internalResize(flucQPos, newSize); |
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+ |
} |
220 |
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|
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+ |
if (storageLayout_ & dslFlucQVelocity) { |
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+ |
internalResize(flucQVel, newSize); |
223 |
+ |
} |
224 |
+ |
|
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+ |
if (storageLayout_ & dslFlucQForce) { |
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+ |
internalResize(flucQFrc, newSize); |
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+ |
} |
228 |
+ |
|
229 |
+ |
if (storageLayout_ & dslSitePotential) { |
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+ |
internalResize(sitePotential, newSize); |
231 |
+ |
} |
232 |
+ |
|
233 |
|
size_ = newSize; |
234 |
< |
} |
234 |
> |
} |
235 |
|
|
236 |
< |
void DataStorage::reserve(int size) { |
236 |
> |
void DataStorage::reserve(int size) { |
237 |
|
if (storageLayout_ & dslPosition) { |
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< |
position.reserve(size); |
238 |
> |
position.reserve(size); |
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|
} |
240 |
|
|
241 |
|
if (storageLayout_ & dslVelocity) { |
242 |
< |
velocity.reserve(size); |
242 |
> |
velocity.reserve(size); |
243 |
|
} |
244 |
|
|
245 |
+ |
if (storageLayout_ & dslForce) { |
246 |
+ |
force.reserve(size); |
247 |
+ |
} |
248 |
+ |
|
249 |
|
if (storageLayout_ & dslAmat) { |
250 |
< |
aMat.reserve(size); |
250 |
> |
aMat.reserve(size); |
251 |
|
} |
252 |
|
|
253 |
|
if (storageLayout_ & dslAngularMomentum) { |
254 |
< |
angularMomentum.reserve(size); |
254 |
> |
angularMomentum.reserve(size); |
255 |
|
} |
256 |
|
|
257 |
< |
if (storageLayout_ & dslElectroFrame) { |
258 |
< |
electroFrame.reserve(size); |
257 |
> |
if (storageLayout_ & dslTorque) { |
258 |
> |
torque.reserve(size); |
259 |
|
} |
260 |
|
|
261 |
< |
if (storageLayout_ & dslZAngle) { |
262 |
< |
zAngle.reserve(size); |
261 |
> |
if (storageLayout_ & dslParticlePot) { |
262 |
> |
particlePot.reserve(size); |
263 |
|
} |
264 |
|
|
265 |
< |
if (storageLayout_ & dslForce) { |
266 |
< |
force.reserve(size); |
267 |
< |
} |
265 |
> |
if (storageLayout_ & dslDensity) { |
266 |
> |
density.reserve(size); |
267 |
> |
} |
268 |
|
|
269 |
< |
if (storageLayout_ & dslTorque) { |
270 |
< |
torque.reserve(size); |
269 |
> |
if (storageLayout_ & dslFunctional) { |
270 |
> |
functional.reserve(size); |
271 |
|
} |
272 |
|
|
273 |
< |
} |
273 |
> |
if (storageLayout_ & dslFunctionalDerivative) { |
274 |
> |
functionalDerivative.reserve(size); |
275 |
> |
} |
276 |
|
|
277 |
< |
void DataStorage::copy(int source, int num, int target) { |
278 |
< |
if (num + target > size_ ) { |
182 |
< |
//error |
277 |
> |
if (storageLayout_ & dslDipole) { |
278 |
> |
dipole.reserve(size); |
279 |
|
} |
184 |
– |
|
185 |
– |
if (storageLayout_ & dslPosition) { |
186 |
– |
internalCopy(position, source, num, target); |
187 |
– |
} |
280 |
|
|
281 |
< |
if (storageLayout_ & dslVelocity) { |
282 |
< |
internalCopy(velocity, source, num, target); |
283 |
< |
} |
281 |
> |
if (storageLayout_ & dslQuadrupole) { |
282 |
> |
quadrupole.reserve(size); |
283 |
> |
} |
284 |
|
|
285 |
< |
if (storageLayout_ & dslAmat) { |
286 |
< |
internalCopy(aMat, source, num, target); |
287 |
< |
} |
285 |
> |
if (storageLayout_ & dslElectricField) { |
286 |
> |
electricField.reserve(size); |
287 |
> |
} |
288 |
|
|
289 |
< |
if (storageLayout_ & dslAngularMomentum) { |
290 |
< |
internalCopy(angularMomentum, source, num, target); |
291 |
< |
} |
289 |
> |
if (storageLayout_ & dslSkippedCharge) { |
290 |
> |
skippedCharge.reserve(size); |
291 |
> |
} |
292 |
|
|
293 |
< |
if (storageLayout_ & dslElectroFrame) { |
294 |
< |
internalCopy(electroFrame, source, num, target); |
293 |
> |
if (storageLayout_ & dslFlucQPosition) { |
294 |
> |
flucQPos.reserve(size); |
295 |
|
} |
296 |
< |
|
297 |
< |
if (storageLayout_ & dslZAngle) { |
298 |
< |
internalCopy(zAngle, source, num, target); |
296 |
> |
|
297 |
> |
if (storageLayout_ & dslFlucQVelocity) { |
298 |
> |
flucQVel.reserve(size); |
299 |
|
} |
300 |
|
|
301 |
< |
if (storageLayout_ & dslForce) { |
302 |
< |
internalCopy(force, source, num, target); |
303 |
< |
} |
301 |
> |
if (storageLayout_ & dslFlucQForce) { |
302 |
> |
flucQFrc.reserve(size); |
303 |
> |
} |
304 |
|
|
305 |
< |
if (storageLayout_ & dslTorque) { |
306 |
< |
internalCopy(torque, source, num, target); |
305 |
> |
if (storageLayout_ & dslSitePotential) { |
306 |
> |
sitePotential.reserve(size); |
307 |
|
} |
308 |
+ |
} |
309 |
+ |
|
310 |
+ |
void DataStorage::copy(int source, int num, int target) { |
311 |
+ |
if (num + target > size_ ) { |
312 |
+ |
//error |
313 |
+ |
} |
314 |
|
|
315 |
+ |
if (storageLayout_ & dslPosition) { |
316 |
+ |
internalCopy(position, source, num, target); |
317 |
+ |
} |
318 |
|
|
319 |
< |
} |
319 |
> |
if (storageLayout_ & dslVelocity) { |
320 |
> |
internalCopy(velocity, source, num, target); |
321 |
> |
} |
322 |
|
|
323 |
< |
int DataStorage::getStorageLayout() { |
324 |
< |
return storageLayout_; |
325 |
< |
} |
323 |
> |
if (storageLayout_ & dslForce) { |
324 |
> |
internalCopy(force, source, num, target); |
325 |
> |
} |
326 |
> |
|
327 |
> |
if (storageLayout_ & dslAmat) { |
328 |
> |
internalCopy(aMat, source, num, target); |
329 |
> |
} |
330 |
|
|
331 |
< |
void DataStorage::setStorageLayout(int layout) { |
331 |
> |
if (storageLayout_ & dslAngularMomentum) { |
332 |
> |
internalCopy(angularMomentum, source, num, target); |
333 |
> |
} |
334 |
> |
|
335 |
> |
if (storageLayout_ & dslTorque) { |
336 |
> |
internalCopy(torque, source, num, target); |
337 |
> |
} |
338 |
> |
|
339 |
> |
if (storageLayout_ & dslParticlePot) { |
340 |
> |
internalCopy(particlePot, source, num, target); |
341 |
> |
} |
342 |
> |
|
343 |
> |
if (storageLayout_ & dslDensity) { |
344 |
> |
internalCopy(density, source, num, target); |
345 |
> |
} |
346 |
> |
|
347 |
> |
if (storageLayout_ & dslFunctional) { |
348 |
> |
internalCopy(functional, source, num, target); |
349 |
> |
} |
350 |
> |
|
351 |
> |
if (storageLayout_ & dslFunctionalDerivative) { |
352 |
> |
internalCopy(functionalDerivative, source, num, target); |
353 |
> |
} |
354 |
> |
|
355 |
> |
if (storageLayout_ & dslDipole) { |
356 |
> |
internalCopy(dipole, source, num, target); |
357 |
> |
} |
358 |
> |
|
359 |
> |
if (storageLayout_ & dslQuadrupole) { |
360 |
> |
internalCopy(quadrupole, source, num, target); |
361 |
> |
} |
362 |
> |
|
363 |
> |
if (storageLayout_ & dslElectricField) { |
364 |
> |
internalCopy(electricField, source, num, target); |
365 |
> |
} |
366 |
> |
|
367 |
> |
if (storageLayout_ & dslSkippedCharge) { |
368 |
> |
internalCopy(skippedCharge, source, num, target); |
369 |
> |
} |
370 |
> |
|
371 |
> |
if (storageLayout_ & dslFlucQPosition) { |
372 |
> |
internalCopy(flucQPos, source, num, target); |
373 |
> |
} |
374 |
> |
|
375 |
> |
if (storageLayout_ & dslFlucQVelocity) { |
376 |
> |
internalCopy(flucQVel, source, num, target); |
377 |
> |
} |
378 |
> |
if (storageLayout_ & dslFlucQForce) { |
379 |
> |
internalCopy(flucQFrc, source, num, target); |
380 |
> |
} |
381 |
> |
|
382 |
> |
if (storageLayout_ & dslSitePotential) { |
383 |
> |
internalCopy(sitePotential, source, num, target); |
384 |
> |
} |
385 |
> |
} |
386 |
> |
|
387 |
> |
int DataStorage::getStorageLayout() { |
388 |
> |
return storageLayout_; |
389 |
> |
} |
390 |
> |
|
391 |
> |
void DataStorage::setStorageLayout(int layout) { |
392 |
|
storageLayout_ = layout; |
393 |
|
resize(size_); |
394 |
< |
} |
394 |
> |
} |
395 |
|
|
396 |
< |
double* DataStorage::getArrayPointer(int whichArray) { |
396 |
> |
RealType* DataStorage::getArrayPointer(int whichArray) { |
397 |
|
|
398 |
|
switch (whichArray) { |
399 |
< |
case dslPosition: |
400 |
< |
return internalGetArrayPointer(position); |
234 |
< |
break; |
399 |
> |
case dslPosition: |
400 |
> |
return internalGetArrayPointer(position); |
401 |
|
|
402 |
< |
case dslVelocity: |
403 |
< |
return internalGetArrayPointer(velocity); |
238 |
< |
break; |
402 |
> |
case dslVelocity: |
403 |
> |
return internalGetArrayPointer(velocity); |
404 |
|
|
405 |
< |
case dslAmat: |
406 |
< |
return internalGetArrayPointer(aMat); |
407 |
< |
break; |
405 |
> |
case dslForce: |
406 |
> |
return internalGetArrayPointer(force); |
407 |
> |
|
408 |
> |
case dslAmat: |
409 |
> |
return internalGetArrayPointer(aMat); |
410 |
|
|
411 |
< |
case dslAngularMomentum: |
412 |
< |
return internalGetArrayPointer(angularMomentum); |
246 |
< |
break; |
411 |
> |
case dslAngularMomentum: |
412 |
> |
return internalGetArrayPointer(angularMomentum); |
413 |
|
|
414 |
< |
case dslElectroFrame: |
415 |
< |
return internalGetArrayPointer(electroFrame); |
250 |
< |
break; |
251 |
< |
|
252 |
< |
case dslZAngle: |
253 |
< |
return internalGetArrayPointer(zAngle); |
254 |
< |
break; |
414 |
> |
case dslTorque: |
415 |
> |
return internalGetArrayPointer(torque); |
416 |
|
|
417 |
< |
case dslForce: |
418 |
< |
return internalGetArrayPointer(force); |
258 |
< |
break; |
417 |
> |
case dslParticlePot: |
418 |
> |
return internalGetArrayPointer(particlePot); |
419 |
|
|
420 |
< |
case dslTorque: |
421 |
< |
return internalGetArrayPointer(torque); |
262 |
< |
break; |
263 |
< |
|
264 |
< |
default: |
265 |
< |
//error message |
266 |
< |
return NULL; |
420 |
> |
case dslDensity: |
421 |
> |
return internalGetArrayPointer(density); |
422 |
|
|
423 |
+ |
case dslFunctional: |
424 |
+ |
return internalGetArrayPointer(functional); |
425 |
+ |
|
426 |
+ |
case dslFunctionalDerivative: |
427 |
+ |
return internalGetArrayPointer(functionalDerivative); |
428 |
+ |
|
429 |
+ |
case dslDipole: |
430 |
+ |
return internalGetArrayPointer(dipole); |
431 |
+ |
|
432 |
+ |
case dslQuadrupole: |
433 |
+ |
return internalGetArrayPointer(quadrupole); |
434 |
+ |
|
435 |
+ |
case dslElectricField: |
436 |
+ |
return internalGetArrayPointer(electricField); |
437 |
+ |
|
438 |
+ |
case dslSkippedCharge: |
439 |
+ |
return internalGetArrayPointer(skippedCharge); |
440 |
+ |
|
441 |
+ |
case dslFlucQPosition: |
442 |
+ |
return internalGetArrayPointer(flucQPos); |
443 |
+ |
|
444 |
+ |
case dslFlucQVelocity: |
445 |
+ |
return internalGetArrayPointer(flucQVel); |
446 |
+ |
|
447 |
+ |
case dslFlucQForce: |
448 |
+ |
return internalGetArrayPointer(flucQFrc); |
449 |
+ |
|
450 |
+ |
case dslSitePotential: |
451 |
+ |
return internalGetArrayPointer(sitePotential); |
452 |
+ |
|
453 |
+ |
default: |
454 |
+ |
//error message |
455 |
+ |
return NULL; |
456 |
|
} |
457 |
< |
} |
457 |
> |
} |
458 |
|
|
459 |
< |
double* DataStorage::internalGetArrayPointer(std::vector<Vector3d>& v) { |
460 |
< |
if (v.size() == 0) { |
461 |
< |
return NULL; |
459 |
> |
RealType* DataStorage::internalGetArrayPointer(std::vector<Vector3d>& v) { |
460 |
> |
if (v.empty()) { |
461 |
> |
return NULL; |
462 |
|
} else { |
463 |
< |
return v[0].getArrayPointer(); |
463 |
> |
return v[0].getArrayPointer(); |
464 |
|
} |
465 |
< |
} |
465 |
> |
} |
466 |
|
|
467 |
< |
double* DataStorage::internalGetArrayPointer(std::vector<RotMat3x3d>& v) { |
468 |
< |
if (v.size() == 0) { |
469 |
< |
return NULL; |
467 |
> |
RealType* DataStorage::internalGetArrayPointer(std::vector<Mat3x3d>& v) { |
468 |
> |
if (v.empty()) { |
469 |
> |
return NULL; |
470 |
|
} else { |
471 |
< |
return v[0].getArrayPointer(); |
471 |
> |
return v[0].getArrayPointer(); |
472 |
|
} |
473 |
|
|
474 |
< |
} |
474 |
> |
} |
475 |
|
|
476 |
< |
double* DataStorage::internalGetArrayPointer(std::vector<double>& v) { |
477 |
< |
if (v.size() == 0) { |
478 |
< |
return NULL; |
476 |
> |
RealType* DataStorage::internalGetArrayPointer(std::vector<RealType>& v) { |
477 |
> |
if (v.empty()) { |
478 |
> |
return NULL; |
479 |
|
} else { |
480 |
< |
return &(v[0]); |
480 |
> |
return &(v[0]); |
481 |
|
} |
482 |
|
|
483 |
< |
} |
483 |
> |
} |
484 |
|
|
485 |
< |
template<typename T> |
486 |
< |
void DataStorage::internalResize(std::vector<T>& v, int newSize){ |
485 |
> |
template<typename T> |
486 |
> |
void DataStorage::internalResize(std::vector<T>& v, int newSize){ |
487 |
|
int oldSize = v.size(); |
488 |
|
|
489 |
|
if (oldSize == newSize) { |
490 |
< |
return; |
490 |
> |
return; |
491 |
|
} else if (oldSize < newSize) { |
492 |
< |
v.insert(v.end(), newSize-oldSize, T()); |
492 |
> |
v.insert(v.end(), newSize-oldSize, T()); |
493 |
|
} else { |
494 |
< |
typename std::vector<T>::iterator i; |
495 |
< |
i = v.begin(); |
496 |
< |
std::advance(i, newSize); |
497 |
< |
v.erase(i, v.end()); |
494 |
> |
typename std::vector<T>::iterator i; |
495 |
> |
i = v.begin(); |
496 |
> |
std::advance(i, newSize); |
497 |
> |
v.erase(i, v.end()); |
498 |
|
} |
499 |
< |
} |
499 |
> |
} |
500 |
|
|
501 |
< |
template<typename T> |
502 |
< |
void DataStorage::internalCopy(std::vector<T>& v, int source, int num, int target) { |
501 |
> |
template<typename T> |
502 |
> |
void DataStorage::internalCopy(std::vector<T>& v, int source, int num, int target) { |
503 |
|
typename std::vector<T>::iterator first; |
504 |
|
typename std::vector<T>::iterator last; |
505 |
|
typename std::vector<T>::iterator result; |
514 |
|
std::advance(result, target ); |
515 |
|
|
516 |
|
std::copy(first, last, result); |
517 |
+ |
} |
518 |
+ |
|
519 |
+ |
int DataStorage::getBytesPerStuntDouble(int layout) { |
520 |
+ |
int bytes = 0; |
521 |
+ |
if (layout & dslPosition) { |
522 |
+ |
bytes += sizeof(Vector3d); |
523 |
+ |
} |
524 |
+ |
if (layout & dslVelocity) { |
525 |
+ |
bytes += sizeof(Vector3d); |
526 |
+ |
} |
527 |
+ |
if (layout & dslForce) { |
528 |
+ |
bytes += sizeof(Vector3d); |
529 |
+ |
} |
530 |
+ |
if (layout & dslAmat) { |
531 |
+ |
bytes += sizeof(RotMat3x3d); |
532 |
+ |
} |
533 |
+ |
if (layout & dslAngularMomentum) { |
534 |
+ |
bytes += sizeof(Vector3d); |
535 |
+ |
} |
536 |
+ |
if (layout & dslTorque) { |
537 |
+ |
bytes += sizeof(Vector3d); |
538 |
+ |
} |
539 |
+ |
if (layout & dslParticlePot) { |
540 |
+ |
bytes += sizeof(RealType); |
541 |
+ |
} |
542 |
+ |
if (layout & dslDensity) { |
543 |
+ |
bytes += sizeof(RealType); |
544 |
+ |
} |
545 |
+ |
if (layout & dslFunctional) { |
546 |
+ |
bytes += sizeof(RealType); |
547 |
+ |
} |
548 |
+ |
if (layout & dslFunctionalDerivative) { |
549 |
+ |
bytes += sizeof(RealType); |
550 |
+ |
} |
551 |
+ |
if (layout & dslDipole) { |
552 |
+ |
bytes += sizeof(Vector3d); |
553 |
+ |
} |
554 |
+ |
if (layout & dslQuadrupole) { |
555 |
+ |
bytes += sizeof(Mat3x3d); |
556 |
+ |
} |
557 |
+ |
if (layout & dslElectricField) { |
558 |
+ |
bytes += sizeof(Vector3d); |
559 |
+ |
} |
560 |
+ |
if (layout & dslSkippedCharge) { |
561 |
+ |
bytes += sizeof(RealType); |
562 |
+ |
} |
563 |
+ |
if (layout & dslFlucQPosition) { |
564 |
+ |
bytes += sizeof(RealType); |
565 |
+ |
} |
566 |
+ |
if (layout & dslFlucQVelocity) { |
567 |
+ |
bytes += sizeof(RealType); |
568 |
+ |
} |
569 |
+ |
if (layout & dslFlucQForce) { |
570 |
+ |
bytes += sizeof(RealType); |
571 |
+ |
} |
572 |
+ |
if (layout & dslSitePotential) { |
573 |
+ |
bytes += sizeof(RealType); |
574 |
+ |
} |
575 |
+ |
|
576 |
+ |
return bytes; |
577 |
+ |
} |
578 |
+ |
|
579 |
|
} |