OpenMD 3.0
Molecular Dynamics in the Open
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CompositeVisitor.hpp
1/*
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31 * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
32 * research, please cite the appropriate papers when you publish your
33 * work. Good starting points are:
34 *
35 * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
36 * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
37 * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
38 * [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
39 * [5] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
40 * [6] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
41 * [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
42 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
43 */
44
45#ifndef VISITORS_COMPOSITEVISITOR_HPP
46#define VISITORS_COMPOSITEVISITOR_HPP
47
48#include <list>
49
51#include "visitors/BaseVisitor.hpp"
52
53namespace OpenMD {
54
55 using VisitorIterator = std::list<std::pair<BaseVisitor*, int>>::iterator;
56
58 public:
59 using BaseVisitor::visit;
60 CompositeVisitor() : BaseVisitor() { visitorName = "CompositeVisitor"; }
62
63 virtual void visit(Atom* atom);
64 virtual void visit(DirectionalAtom* datom);
65 virtual void visit(RigidBody* rb);
66 virtual void update();
67
68 void addVisitor(BaseVisitor* v, int priority = 0);
69 BaseVisitor* beginVisitor(VisitorIterator& i);
70 BaseVisitor* nextVisitor(VisitorIterator& i);
71
72 const std::string toString();
73
74 protected:
75 std::list<std::pair<BaseVisitor*, int>> visitorList;
76 };
77} // namespace OpenMD
78
79#endif //_COMPOSITEVISITOR_H_
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.