Line data Source code
1 : // Copyright (C) 2015 Technische Universitaet Muenchen
2 : // This file is part of the Mamico project. For conditions of distribution
3 : // and use, please see the copyright notice in Mamico's main folder, or at
4 : // www5.in.tum.de/mamico
5 : #ifndef _MOLECULARDYNAMICS_COUPLING_TRANSFERSTRATEGIES_STRATEGY_H_
6 : #define _MOLECULARDYNAMICS_COUPLING_TRANSFERSTRATEGIES_STRATEGY_H_
7 :
8 : #include "coupling/datastructures/CouplingCell.h"
9 : #include "coupling/interface/MDSolverInterface.h"
10 :
11 : namespace coupling {
12 : namespace transferstrategies {
13 : template <class LinkedCell, unsigned int dim> class TransferStrategy;
14 : }
15 : } // namespace coupling
16 :
17 : /** interface for transfer strategy, that is for coupling cell operations
18 : * that are carried out before/after send/recv-operations between the two
19 : * solvers, or in each MD step for sampling purposes.
20 : * @author Philipp Neumann
21 : * @tparam LinkedCell the LinkedCell class is given by the implementation of
22 : * linked cells in the molecular dynamics simulation
23 : * @tparam dim refers to the spacial dimension of the simulation, can be 1, 2,
24 : * or 3 */
25 : template <class LinkedCell, unsigned int dim> class coupling::transferstrategies::TransferStrategy {
26 : public:
27 : /** @brief a simple destructor
28 : * @param mdSolverInterface interface to md solver */
29 4 : TransferStrategy(coupling::interface::MDSolverInterface<LinkedCell, dim>* const mdSolverInterface) : _mdSolverInterface(mdSolverInterface) {}
30 :
31 : /** @brief a dummy destructor */
32 0 : virtual ~TransferStrategy() {}
33 :
34 : /** Here, you might e.g. reset all coupling cell values to zero.
35 : * This method is only applied to coupling cells that cover parts of the
36 : * MD domain; it is not applied in the outer coupling cells.
37 : * @brief is called on the inner coupling cells before the data from the
38 : * macro solver is applied
39 : * @param cell the coupling cell to apply
40 : * @param index the index of the coupling cell */
41 0 : virtual void processInnerCouplingCellBeforeReceivingMacroscopicSolverData(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell,
42 0 : I02 index) {}
43 :
44 : /** This method is only applied to coupling cells that cover parts of the
45 : * MD domain; it is not applied in the outer coupling cells. Is called
46 : * before the
47 : * processInnerCouplingCellBeforeReceivingMacroscopicSolverData() method
48 : * @brief the method is called before the cells are processed, e.g. general
49 : * values might be set here */
50 0 : virtual void beginProcessInnerCouplingCellsBeforeReceivingMacroscopicSolverData() {}
51 :
52 : /** This method is only applied to coupling cells that cover parts of the
53 : * MD domain; it is not applied in the outer coupling cells. Is called
54 : * after the processInnerCouplingCellBeforeReceivingMacroscopicSolverData()
55 : * method
56 : * @brief the method is called after the cells are processed, e.g. some
57 : * general evaluation might happen like sum/counter */
58 0 : virtual void endProcessInnerCouplingCellsBeforeReceivingMacroscopicSolverData() {}
59 :
60 : /** Here, you might e.g. reset all coupling cell values to zero.
61 : * This method is only applied to outer coupling cells that are not part
62 : * of the inner MD domain; it is not applied to the cells in the ghost layer
63 : * @brief is called on the outer coupling cells before the data from the
64 : * macro solver is applied
65 : * @param cell the coupling cell to apply
66 : * @param index the index of the coupling cell */
67 0 : virtual void processOuterCouplingCellBeforeReceivingMacroscopicSolverData(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell,
68 0 : I02 index) {}
69 :
70 : /** This method is only applied to coupling cells that are not part the
71 : * inner MD domain; it is not applied to the ghost layer Is called before the
72 : * processOuterCouplingCellBeforeReceivingMacroscopicSolverData() method
73 : * @brief the method is called before the outer cells are processed, e.g.
74 : * general values might be set here */
75 0 : virtual void beginProcessOuterCouplingCellsBeforeReceivingMacroscopicSolverData() {}
76 :
77 : /** This method is only applied to coupling cells that are not part the
78 : * inner MD domain; it is not applied to the ghost layer Is called after the
79 : * processOuterCouplingCellBeforeReceivingMacroscopicSolverData() method
80 : * @brief the method is called after the outer cells are processed, e.g.
81 : * general values might be set here */
82 0 : virtual void endProcessOuterCouplingCellsBeforeReceivingMacroscopicSolverData() {}
83 :
84 : /** These values might be manipulated within this function. Example: Mass and
85 : * momentum have been transferred from the macroscopic solver to MD, but only
86 : * the difference between MD and macroscopic solver shall be introduced to MD.
87 : * Then, this function determines this difference and stores the result again
88 : * in microscopicMass and -Momentum. This method is only applied to
89 : * coupling cells that cover parts of the MD domain; it is not applied in
90 : * the outer coupling cells.
91 : * @brieff is called for every coupling cell after the microscopicMass and
92 : * -Momentum have been filled in with data from the macroscopic solver.
93 : * @param cell the coupling cell to apply
94 : * @param index the index of the coupling cell */
95 0 : virtual void processInnerCouplingCellAfterReceivingMacroscopicSolverData(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell,
96 0 : I02 index) {}
97 :
98 : /** This method is only applied to coupling cells that cover parts of the
99 : * MD domain; it is not applied the outer coupling cells. Is called before
100 : * the processInnerCouplingCellAfterReceivingMacroscopicSolverData() method
101 : * @brief the method is called before the inner cells are processed, e.g.
102 : * general values might be set here */
103 0 : virtual void beginProcessInnerCouplingCellsAfterReceivingMacroscopicSolverData() {}
104 :
105 : /** This method is only applied to coupling cells that cover parts of the
106 : * MD domain; it is not applied the outer coupling cells. Is called after
107 : * the processInnerCouplingCellAfterReceivingMacroscopicSolverData() method
108 : * @brief the method is called after the inner cells are processed, e.g.
109 : * general values might be set here */
110 0 : virtual void endProcessInnerCouplingCellsAfterReceivingMacroscopicSolverData() {}
111 :
112 : /** These values might be manipulated within this function. Example: Mass and
113 : * momentum have been transferred from the macroscopic solver to MD, but only
114 : * the difference between MD and macroscopic solver shall be introduced to MD.
115 : * Then, this function determines this difference and stores the result again
116 : * in microscopicMass and -Momentum. This method is only applied to
117 : * coupling cells in the outer parts of the MD domain; it is not applied in
118 : * the ghost layer.
119 : * @brief is called for every coupling cell after the microscopicMass and
120 : * -Momentum have been filled in with data from the macroscopic solver.
121 : * @param cell the coupling cell to apply
122 : * @param index the index of the coupling cell */
123 0 : virtual void processOuterCouplingCellAfterReceivingMacroscopicSolverData(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell,
124 0 : I02 index) {}
125 :
126 : /** This method is only applied to coupling cells are part of the outer MD
127 : * domain; it is not applied the inner coupling cells. Is called before the
128 : * processOuterCouplingCellAfterReceivingMacroscopicSolverData() method
129 : * @brief the method is called before the outer cells are processed, e.g.
130 : * general values might be set here */
131 0 : virtual void beginProcessOuterCouplingCellsAfterReceivingMacroscopicSolverData() {}
132 :
133 : /** This method is only applied to coupling cells are part of the outer MD
134 : * domain; it is not applied the inner coupling cells. Is called after the
135 : * processOuterCouplingCellAfterReceivingMacroscopicSolverData() method
136 : * @brief the method is called after the outer cells are processed, e.g.
137 : * general values might be set here */
138 0 : virtual void endProcessOuterCouplingCellsAfterReceivingMacroscopicSolverData() {}
139 :
140 : /** Example: Compute mass and momentum and store the results in
141 : * macroscopicMass and -Momentum. The total mass and momentum from the MD
142 : * system will then be sent to the macroscopic solver. This method is only
143 : * applied to coupling cells that cover parts of the MD domain; it is not
144 : * applied in the outer coupling cells.
145 : * @brief is called for every coupling cell before sending the
146 : * macroscopicMass and -Momentum data to the macroscopic solver and before
147 : * noise reduction invocation.
148 : * @param cell the coupling cell to apply
149 : * @param index the index of the coupling cell */
150 0 : virtual void processInnerCouplingCellBeforeSendingMDSolverData(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell, I02 index) {}
151 :
152 : /** This method is only applied to coupling cells that cover parts of the
153 : * MD domain; it is not applied the outer coupling cells. Is called before
154 : * the processInnerCouplingCellBeforeSendingMDSolverData() method
155 : * @brief the method is called before the inner cell data is send, e.g.
156 : * general values might be set here */
157 0 : virtual void beginProcessInnerCouplingCellsBeforeSendingMDSolverData() {}
158 :
159 : /** This method is only applied to coupling cells that cover parts of the
160 : * MD domain; it is not applied the outer coupling cells. Is called after
161 : * the processInnerCouplingCellBeforeSendingMDSolverData() method
162 : * @brief the method is called after the inner cell data is send, e.g.
163 : * general values might be set here */
164 0 : virtual void endProcessInnerCouplingCellsBeforeSendingMDSolverData() {}
165 :
166 : /** is called for every coupling cell before sending the macroscopicMass
167 : * and -Momentum data to the macroscopic solver and before noise reduction
168 : * invocation. Example: Compute mass and momentum and store the results in
169 : * macroscopicMass and -Momentum. The total mass and momentum from the MD
170 : * system will then be sent to the macroscopic solver. This method is only
171 : * applied to outer coupling cells, that is cells that are located outside
172 : * the MD domain.
173 : * @brief is called for outer coupling cell before sending the
174 : * macroscopicMass and -Momentum data to the macroscopic solver and before
175 : * noise reduction invocation.
176 : * @param cell the coupling cell to apply
177 : * @param index the index of the coupling cell */
178 0 : virtual void processOuterCouplingCellBeforeSendingMDSolverData(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell, I02 index) {}
179 :
180 : /** This method is only applied to coupling cells are part of the outer MD
181 : * domain; it is not applied the inner coupling cells. Is called before the
182 : * processOuterCouplingCellBeforeSendingMDSolverData() method
183 : * @brief the method is called before the outer cells are processed, e.g.
184 : * general values might be set here */
185 0 : virtual void beginProcessOuterCouplingCellsBeforeSendingMDSolverData() {}
186 :
187 : /** This method is only applied to coupling cells are part of the outer MD
188 : * domain; it is not applied the inner coupling cells. Is called after the
189 : * processOuterCouplingCellBeforeSendingMDSolverData() method
190 : * @brief the method is called after the outer cells are processed, e.g.
191 : * general values might be set here */
192 0 : virtual void endProcessOuterCouplingCellsBeforeSendingMDSolverData() {}
193 :
194 : /** required to collect cell data during an MD simulation. For example, if we
195 : * need time-averaged data within a coupling cell, we can compute mass and
196 : * momentum in each timestep and add it to the microscopicMass and -Momentum
197 : * buffers. This method is only applied to coupling cells that cover parts
198 : * of the MD domain; it is not applied in the outer coupling cells.
199 : * @param cell the coupling cell to apply
200 : * @param index the index of the coupling cell */
201 0 : virtual void processInnerCouplingCellAfterMDTimestep(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell, I02 index) {}
202 :
203 : /** This method is only applied to coupling cells that cover parts of the
204 : * MD domain; it is not applied the outer coupling cells. Is called before
205 : * the processInnerCouplingCellAfterMDTimestep() method
206 : * @brief the method is called before the inner cell data is send, e.g.
207 : * general values might be set here */
208 0 : virtual void beginProcessInnerCouplingCellsAfterMDTimestep() {}
209 :
210 : /** This method is only applied to coupling cells that cover parts of the
211 : * MD domain; it is not applied the outer coupling cells. Is called after
212 : * the processInnerCouplingCellAfterMDTimestep() method
213 : * @brief the method is called after the inner cell data is send, e.g.
214 : * general values might be set here */
215 0 : virtual void endProcessInnerCouplingCellsAfterMDTimestep() {}
216 :
217 : protected:
218 : /** interface for the md solver */
219 : coupling::interface::MDSolverInterface<LinkedCell, dim>* const _mdSolverInterface;
220 : };
221 : #endif // _MOLECULARDYNAMICS_COUPLING_TRANSFERSTRATEGIES_STRATEGY_H_
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