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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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* non-exclusive, royalty free, license to use, modify and |
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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. 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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* 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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* |
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* This software is provided "AS IS," without a warranty of any |
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* kind. All express or implied conditions, representations and |
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* warranties, including any implied warranty of merchantability, |
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* fitness for a particular purpose or non-infringement, are hereby |
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* excluded. The University of Notre Dame and its licensors shall not |
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* be liable for any damages suffered by licensee as a result of |
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* using, modifying or distributing the software or its |
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* derivatives. In no event will the University of Notre Dame or its |
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* licensors be liable for any lost revenue, profit or data, or for |
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* direct, indirect, special, consequential, incidental or punitive |
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* damages, however caused and regardless of the theory of liability, |
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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, 24107 (2008). |
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* [4] Vardeman & Gezelter, in progress (2009). |
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*/ |
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#include "applications/hydrodynamics/AnalyticalModel.hpp" |
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#include "hydrodynamics/Sphere.hpp" |
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#include "hydrodynamics/Ellipsoid.hpp" |
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#include "applications/hydrodynamics/CompositeShape.hpp" |
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#include "math/LU.hpp" |
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namespace OpenMD { |
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|
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bool AnalyticalModel::calcHydroProps(Shape* shape, RealType viscosity, RealType temperature) { |
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|
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HydroProp* props; |
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Sphere* sphere = dynamic_cast<Sphere*>(shape); |
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if (sphere != NULL) { |
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props = sphere->getHydroProp(viscosity, temperature); |
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setCR(props); |
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setCD(props); |
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return true; |
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} else { |
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Ellipsoid* ellipsoid = dynamic_cast<Ellipsoid*>(shape); |
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if (ellipsoid != NULL) { |
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props = ellipsoid->getHydroProp(viscosity, temperature); |
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setCR(props); |
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setCD(props); |
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return true; |
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} else { |
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CompositeShape* composite = dynamic_cast<CompositeShape*>(shape); |
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if (composite != NULL) { |
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// props = composite->getHydroProp(viscosity, temperature); |
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// setCR(props); |
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// setCD(props); |
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// return true; |
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return false; |
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} else { |
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sprintf( painCave.errMsg, |
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"Could not figure out what kind of shape this is!\n"); |
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painCave.severity = OPENMD_ERROR; |
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painCave.isFatal = 1; |
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simError(); |
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return false; |
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} |
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} |
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} |
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} |
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|
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void AnalyticalModel::writeBeads(std::ostream& os) { |
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os << "1\n"; |
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os << "Generated by Hydro\n"; |
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Vector3d pos = sd_->getPos(); |
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os << sd_->getType() << "\t" << pos[0] << "\t" << pos[1] << "\t" << pos[2] << std::endl; |
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} |
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} |
