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tim |
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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. 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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* 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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* 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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#ifndef VISITORS_LIPIDTRANSVISITOR_HPP |
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#define VISITORS_LIPIDTRANSVISITOR_HPP |
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#include "visitors/BaseVisitor.hpp" |
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#include "primitives/StuntDouble.hpp" |
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#include "visitors/AtomData.hpp" |
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#include "primitives/Molecule.hpp" |
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#include "brains/SimInfo.hpp" |
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#include "selection/SelectionEvaluator.hpp" |
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#include "selection/SelectionManager.hpp" |
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namespace oopse { |
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class LipidTransVisitor : public BaseVisitor { |
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public: |
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LipidTransVisitor(SimInfo* info, const std::string& originSeleScript, const std::string& refSeleScript) |
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: BaseVisitor(), info_(info), originEvaluator_(info), originSeleMan_(info), refEvaluator_(info), refSeleMan_(info), refSd_(NULL) { |
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visitorName = "LipidTransVisitor"; |
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originEvaluator_.loadScriptString(originSeleScript); |
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if (!originEvaluator_.isDynamic()) { |
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originSeleMan_.setSelectionSet(originEvaluator_.evaluate()); |
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if (originSeleMan_.getSelectionCount() == 1) { |
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int i; |
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originDatom_ = dynamic_cast<DirectionalAtom*>(originSeleMan_.beginSelected(i)); |
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if (originDatom_ == NULL) { |
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//error |
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} |
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} else { |
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//error |
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} |
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} |
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refEvaluator_.loadScriptString(refSeleScript); |
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if (!refEvaluator_.isDynamic()) { |
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refSeleMan_.setSelectionSet(refEvaluator_.evaluate()); |
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if (refSeleMan_.getSelectionCount() == 1) { |
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int i; |
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refSd_ = refSeleMan_.beginSelected(i); |
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} else { |
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//error |
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} |
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} |
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} |
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virtual void visit(Atom* atom) { internalVisit(atom); } |
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virtual void visit(DirectionalAtom* datom) { internalVisit(datom);} |
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virtual void visit(RigidBody* rb) { internalVisit(rb);} |
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virtual const std::string toString(); |
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void update(); |
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protected: |
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void internalVisit(StuntDouble* sd); |
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SimInfo* info_; |
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SelectionEvaluator originEvaluator_; |
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SelectionManager originSeleMan_; |
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DirectionalAtom* originDatom_; |
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SelectionEvaluator refEvaluator_; |
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SelectionManager refSeleMan_; |
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StuntDouble* refSd_; |
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RotMat3x3d rotMat_; |
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Vector3d origin_; |
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}; |
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} |
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#endif |
