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_CONFIGURATIONS_BOUNDARYFORCECONFIGURATION_H_
6 : #define _MOLECULARDYNAMICS_COUPLING_CONFIGURATIONS_BOUNDARYFORCECONFIGURATION_H_
7 :
8 : #include "coupling/NoBoundaryForce.h"
9 : #include "coupling/ZhouBoundaryForceController.h"
10 : #include "coupling/interface/MDSolverInterface.h"
11 : #include "tarch/configuration/Configuration.h"
12 : #include "tarch/configuration/ParseConfiguration.h"
13 : #include "tarch/la/Vector.h"
14 : #include <iostream>
15 :
16 : namespace coupling {
17 : namespace configurations {
18 : template <unsigned int dim> class BoundaryForceConfiguration;
19 : }
20 : } // namespace coupling
21 :
22 : /** boundary force configuration
23 : * @brief reads boundary force tag
24 : * @tparam dim Number of dimensions; it can be 1, 2 or 3
25 : * @author Philipp Neumann
26 : */
27 : template <unsigned int dim> class coupling::configurations::BoundaryForceConfiguration : public tarch::configuration::Configuration {
28 : public:
29 : /** boundary force types that are implemented.
30 : * @enum BoundaryForceType
31 : */
32 : enum BoundaryForceType {
33 : ZHOU = 0 /**< ZHOU*/,
34 : NO_BOUNDARYFORCE = 1 /**< NO_BOUNDARYFORCE*/
35 : };
36 :
37 : /** Constructor, initializes the class */
38 408 : BoundaryForceConfiguration() : _insertionType(NO_BOUNDARYFORCE), _density(0.0), _temperature(0.0), _isValid(true) {}
39 :
40 : /** Destructor */
41 412 : virtual ~BoundaryForceConfiguration() {}
42 :
43 : /** parseSubtag
44 : * @param node
45 : */
46 4 : void parseSubtag(tinyxml2::XMLElement* node) {
47 4 : std::string value;
48 4 : tarch::configuration::ParseConfiguration::readStringMandatory(value, node, "type");
49 28 : const std::string boundaries[6] = {"west", "east", "south", "north", "bottom", "top"};
50 :
51 4 : if (value == "zhou-boundary-force") {
52 4 : _insertionType = ZHOU;
53 0 : } else if (value == "none") {
54 0 : _insertionType = NO_BOUNDARYFORCE;
55 : } else {
56 0 : std::cout << "ERROR coupling::BoundaryForceConfiguration: Wrong insertion type!" << std::endl;
57 0 : _isValid = false;
58 0 : exit(EXIT_FAILURE);
59 : }
60 :
61 : // for all boundary force types: read the sides at which boundary force
62 : // shall be applied this may not be useful for NO_BOUNDARYFORCE; however,
63 : // once read, the user can still use the flags, even in the NO_BOUNDARYFORCE
64 : // case, to e.g. determine a setup with boundary forcing using external
65 : // implementations
66 28 : for (unsigned int d = 0; d < 2 * dim; d++) {
67 72 : tarch::configuration::ParseConfiguration::readBoolMandatory(_boundary[d], node, boundaries[d]);
68 : }
69 :
70 4 : if (_insertionType == ZHOU) {
71 4 : tarch::configuration::ParseConfiguration::readDoubleMandatory(_density, node, "density");
72 4 : if (_density <= 0.0) {
73 0 : std::cout << "ERROR coupling::BoundaryForceConfiguration: density is "
74 : "smaller than zero! Density="
75 0 : << _density;
76 0 : _isValid = false;
77 0 : exit(EXIT_FAILURE);
78 : }
79 :
80 4 : tarch::configuration::ParseConfiguration::readDoubleMandatory(_temperature, node, "temperature");
81 4 : if (_temperature <= 0.0) {
82 0 : std::cout << "ERROR coupling::BoundaryForceConfiguration: temperature "
83 : "is smaller than zero! Temperature="
84 0 : << _temperature;
85 0 : _isValid = false;
86 0 : exit(EXIT_FAILURE);
87 : }
88 : }
89 32 : }
90 :
91 : /** Returns name of xml tag that is associated to the configuration.
92 : * @return name of xml tag that is associated to the configuration
93 : */
94 8 : std::string getTag() const { return "boundary-force"; }
95 :
96 : /** checks if the configuration is valid. This operation usually fails, if
97 : *e.g.
98 : * 1. parseSubtag() hasn't been called, i.e. configuration has not been
99 : *used, or
100 : * 2. parseSubtag() failed due to a wrong file.
101 : * 3. If a tag ain't optional and parseSubtag() was not called (first case)
102 : * @return _isValid
103 : */
104 4 : bool isValid() const { return _isValid; }
105 :
106 : /** Returns boundary force type.
107 : * @return _insertionType
108 : */
109 : const BoundaryForceType& getBoundaryForceType() const { return _insertionType; }
110 :
111 : /** Returns boundary ??
112 : * @return _boundary
113 : */
114 : const tarch::la::Vector<2 * dim, bool>& getBoundary() const { return _boundary; }
115 :
116 : /** Returns boundary force configuration.
117 : * @tparam LinkedCell type of the cell
118 : * @param mdSolverInterface
119 : * @return boundary force config
120 : */
121 : template <class LinkedCell>
122 : coupling::BoundaryForceController<LinkedCell, dim>*
123 4 : interpreteConfiguration(coupling::interface::MDSolverInterface<LinkedCell, dim>* const mdSolverInterface) const {
124 4 : if (_insertionType == ZHOU) {
125 : if (dim != 3) {
126 : std::cout << "ERROR "
127 : "coupling::configurations::BoundaryForceConfiguration::"
128 : "interpreteConfiguration(): Zhou boundary force only "
129 : "valid in 3D!"
130 : << std::endl;
131 : exit(EXIT_FAILURE);
132 : }
133 0 : return new coupling::ZhouBoundaryForceController<LinkedCell, dim>(_density, _temperature, _boundary, mdSolverInterface);
134 4 : } else if (_insertionType == NO_BOUNDARYFORCE) {
135 4 : return new coupling::NoBoundaryForce<LinkedCell, dim>(mdSolverInterface);
136 : }
137 : return NULL;
138 : }
139 :
140 : protected:
141 4 : BoundaryForceConfiguration(BoundaryForceType insertionType, double density, double temperature, tarch::la::Vector<2 * dim, bool> boundary)
142 4 : : _insertionType(insertionType), _density(density), _temperature(temperature), _isValid(true) {}
143 :
144 : private:
145 : BoundaryForceType _insertionType;
146 : double _density;
147 : double _temperature;
148 : tarch::la::Vector<2 * dim, bool> _boundary;
149 : bool _isValid;
150 : };
151 :
152 : #endif // _MOLECULARDYNAMICS_COUPLING_CONFIGURATIONS_BOUNDARYFORCECONFIGURATION_H_
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