1 | /*
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2 | * Project: MoleCuilder
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3 | * Description: creates and alters molecular systems
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4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
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5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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6 | */
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7 |
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8 | /*
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9 | * ValueStorage.cpp
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10 | *
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11 | * Created on: Jul 22, 2010
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12 | * Author: heber
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13 | */
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14 |
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15 | // include config.h
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16 | #ifdef HAVE_CONFIG_H
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17 | #include <config.h>
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18 | #endif
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19 |
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20 | #include "Helpers/MemDebug.hpp"
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21 |
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22 | #include "Patterns/Singleton_impl.hpp"
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23 |
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24 | #include "Actions/OptionTrait.hpp"
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25 | #include "Actions/OptionRegistry.hpp"
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26 | #include "Actions/Values.hpp"
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27 | #include "Actions/ValueStorage.hpp"
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28 | #include "Descriptors/AtomIdDescriptor.hpp"
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29 | #include "Descriptors/MoleculeIdDescriptor.hpp"
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30 | #include "Helpers/Log.hpp"
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31 | #include "Helpers/Verbose.hpp"
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32 | #include "LinearAlgebra/BoxVector.hpp"
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33 | #include "LinearAlgebra/Matrix.hpp"
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34 | #include "LinearAlgebra/Vector.hpp"
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35 | #include "atom.hpp"
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36 | #include "Box.hpp"
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37 | #include "element.hpp"
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38 | #include "molecule.hpp"
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39 | #include "periodentafel.hpp"
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40 | #include "World.hpp"
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41 |
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42 | ValueStorage::ValueStorage() :
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43 | OptionRegistry_instance(OptionRegistry::getInstance())
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44 | {};
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45 |
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46 | ValueStorage::~ValueStorage() {};
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47 |
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48 |
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49 | bool ValueStorage::isCurrentValuePresent(const char *name) const
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50 | {
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51 | return (CurrentValueMap.find(name) != CurrentValueMap.end());
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52 | }
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53 |
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54 | void ValueStorage::queryCurrentValue(const char * name, const atom * &_T)
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55 | {
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56 | int atomID = -1;
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57 | if (typeid( atom *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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58 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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59 | throw MissingValueException(__FILE__, __LINE__);
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60 | atomID = lexical_cast<int>(CurrentValueMap[name].c_str());
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61 | CurrentValueMap.erase(name);
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62 | } else if (typeid( const atom *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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63 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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64 | throw MissingValueException(__FILE__, __LINE__);
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65 | atomID = lexical_cast<int>(CurrentValueMap[name].c_str());
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66 | CurrentValueMap.erase(name);
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67 | } else
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68 | throw IllegalTypeException(__FILE__,__LINE__);
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69 | _T = World::getInstance().getAtom(AtomById(atomID));
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70 | }
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71 |
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72 | void ValueStorage::queryCurrentValue(const char * name, const element * &_T) {
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73 | int Z = -1;
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74 | if (typeid(const element *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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75 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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76 | throw MissingValueException(__FILE__, __LINE__);
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77 | Z = lexical_cast<int>(CurrentValueMap[name].c_str());
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78 | CurrentValueMap.erase(name);
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79 | } else
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80 | throw IllegalTypeException(__FILE__,__LINE__);
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81 | _T = World::getInstance().getPeriode()->FindElement(Z);
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82 | }
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83 |
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84 | void ValueStorage::queryCurrentValue(const char * name, const molecule * &_T) {
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85 | int molID = -1;
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86 | if (typeid( const molecule *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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87 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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88 | throw MissingValueException(__FILE__, __LINE__);
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89 | molID = lexical_cast<int>(CurrentValueMap[name].c_str());
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90 | CurrentValueMap.erase(name);
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91 | } else
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92 | throw IllegalTypeException(__FILE__,__LINE__);
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93 | _T = World::getInstance().getMolecule(MoleculeById(molID));
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94 | }
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95 |
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96 | void ValueStorage::queryCurrentValue(const char * name, class Box &_T) {
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97 | Matrix M;
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98 | double tmp;
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99 | if (typeid( Box ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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100 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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101 | throw MissingValueException(__FILE__, __LINE__);
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102 | std::istringstream stream(CurrentValueMap[name]);
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103 | stream >> tmp;
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104 | M.set(0,0,tmp);
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105 | stream >> tmp;
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106 | M.set(0,1,tmp);
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107 | M.set(1,0,tmp);
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108 | stream >> tmp;
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109 | M.set(0,2,tmp);
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110 | M.set(2,0,tmp);
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111 | stream >> tmp;
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112 | M.set(1,1,tmp);
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113 | stream >> tmp;
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114 | M.set(1,2,tmp);
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115 | M.set(2,1,tmp);
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116 | stream >> tmp;
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117 | M.set(2,2,tmp);
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118 | _T = M;
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119 | CurrentValueMap.erase(name);
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120 | } else
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121 | throw IllegalTypeException(__FILE__,__LINE__);
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122 | }
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123 |
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124 | void ValueStorage::queryCurrentValue(const char * name, class Vector &_T) {
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125 | if (typeid( Vector ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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126 | std::istringstream stream(CurrentValueMap[name]);
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127 | CurrentValueMap.erase(name);
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128 | stream >> _T[0];
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129 | stream >> _T[1];
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130 | stream >> _T[2];
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131 | } else
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132 | throw IllegalTypeException(__FILE__,__LINE__);
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133 | }
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134 |
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135 | void ValueStorage::queryCurrentValue(const char * name, class BoxVector &_T) {
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136 | if (typeid( BoxVector ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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137 | std::istringstream stream(CurrentValueMap[name]);
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138 | CurrentValueMap.erase(name);
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139 | stream >> _T[0];
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140 | stream >> _T[1];
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141 | stream >> _T[2];
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142 | } else
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143 | throw IllegalTypeException(__FILE__,__LINE__);
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144 | }
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145 |
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146 | void ValueStorage::queryCurrentValue(const char * name, std::vector<const atom *>&_T)
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147 | {
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148 | int atomID = -1;
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149 | atom *Walker = NULL;
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150 | if (typeid( std::vector<const atom *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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151 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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152 | throw MissingValueException(__FILE__, __LINE__);
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153 | std::istringstream stream(CurrentValueMap[name]);
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154 | CurrentValueMap.erase(name);
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155 | while (!stream.fail()) {
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156 | stream >> atomID >> ws;
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157 | Walker = World::getInstance().getAtom(AtomById(atomID));
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158 | if (Walker != NULL)
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159 | _T.push_back(Walker);
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160 | atomID = -1;
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161 | Walker = NULL;
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162 | }
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163 | } else
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164 | throw IllegalTypeException(__FILE__,__LINE__);
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165 | }
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166 |
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167 | void ValueStorage::queryCurrentValue(const char * name, std::vector<const element *>&_T)
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168 | {
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169 | int Z = -1;
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170 | const element *elemental = NULL;
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171 | if (typeid( std::vector<const element *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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172 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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173 | throw MissingValueException(__FILE__, __LINE__);
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174 | std::istringstream stream(CurrentValueMap[name]);
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175 | CurrentValueMap.erase(name);
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176 | while (!stream.fail()) {
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177 | stream >> Z >> ws;
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178 | elemental = World::getInstance().getPeriode()->FindElement(Z);
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179 | if (elemental != NULL)
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180 | _T.push_back(elemental);
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181 | Z = -1;
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182 | }
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183 | } else
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184 | throw IllegalTypeException(__FILE__,__LINE__);
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185 | }
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186 |
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187 | void ValueStorage::queryCurrentValue(const char * name, std::vector<const molecule *>&_T)
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188 | {
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189 | int molID = -1;
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190 | molecule *mol = NULL;
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191 | if (typeid( std::vector<const molecule *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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192 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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193 | throw MissingValueException(__FILE__, __LINE__);
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194 | std::istringstream stream(CurrentValueMap[name]);
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195 | CurrentValueMap.erase(name);
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196 | while (!stream.fail()) {
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197 | stream >> molID >> ws;
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198 | mol = World::getInstance().getMolecule(MoleculeById(molID));
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199 | if (mol != NULL)
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200 | _T.push_back(mol);
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201 | molID = -1;
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202 | mol = NULL;
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203 | }
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204 | } else
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205 | throw IllegalTypeException(__FILE__,__LINE__);
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206 | }
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207 |
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208 | void ValueStorage::queryCurrentValue(const char * name, boost::filesystem::path&_T)
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209 | {
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210 | std::string tmp;
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211 | if (typeid( boost::filesystem::path ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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212 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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213 | throw MissingValueException(__FILE__, __LINE__);
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214 | std::istringstream stream(CurrentValueMap[name]);
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215 | CurrentValueMap.erase(name);
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216 | if (!stream.fail()) {
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217 | stream >> tmp >> ws;
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218 | _T = tmp;
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219 | }
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220 | } else
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221 | throw IllegalTypeException(__FILE__,__LINE__);
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222 | }
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223 |
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224 | void ValueStorage::setCurrentValue(const char * name, const atom * &_T)
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225 | {
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226 | if (typeid( const atom *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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227 | std::ostringstream stream;
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228 | stream << _T->getId();
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229 | CurrentValueMap[name] = stream.str();
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230 | } else
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231 | throw IllegalTypeException(__FILE__,__LINE__);
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232 | }
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233 |
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234 | void ValueStorage::setCurrentValue(const char * name, const element * &_T)
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235 | {
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236 | if (typeid( const element *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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237 | std::ostringstream stream;
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238 | stream << _T->getAtomicNumber();
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239 | CurrentValueMap[name] = stream.str();
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240 | } else
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241 | throw IllegalTypeException(__FILE__,__LINE__);
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242 | }
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243 |
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244 | void ValueStorage::setCurrentValue(const char * name, const molecule * &_T)
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245 | {
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246 | if (typeid( const molecule *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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247 | std::ostringstream stream;
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248 | stream << _T->getId();
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249 | CurrentValueMap[name] = stream.str();
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250 | } else
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251 | throw IllegalTypeException(__FILE__,__LINE__);
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252 | }
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253 |
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254 | void ValueStorage::setCurrentValue(const char * name, class Box &_T)
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255 | {
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256 | const Matrix &M = _T.getM();
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257 | if (typeid( Box ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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258 | std::ostringstream stream;
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259 | stream << M.at(0,0) << " ";
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260 | stream << M.at(0,1) << " ";
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261 | stream << M.at(0,2) << " ";
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262 | stream << M.at(1,1) << " ";
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263 | stream << M.at(1,2) << " ";
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264 | stream << M.at(2,2) << " ";
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265 | CurrentValueMap[name] = stream.str();
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266 | } else
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267 | throw IllegalTypeException(__FILE__,__LINE__);
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268 | }
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269 |
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270 | void ValueStorage::setCurrentValue(const char * name, class Vector &_T)
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271 | {
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272 | if (typeid( Vector ) == *(OptionRegistry_instance.getOptionByName(name)->getType())){
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273 | std::ostringstream stream;
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274 | stream << _T[0] << " ";
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275 | stream << _T[1] << " ";
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276 | stream << _T[2] << " ";
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277 | CurrentValueMap[name] = stream.str();
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278 | } else if (typeid( BoxVector ) == *(OptionRegistry_instance.getOptionByName(name)->getType())){
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279 | std::ostringstream stream;
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280 | stream << _T[0] << " ";
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281 | stream << _T[1] << " ";
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282 | stream << _T[2] << " ";
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283 | CurrentValueMap[name] = stream.str();
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284 | } else
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285 | throw IllegalTypeException(__FILE__,__LINE__);
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286 | }
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287 |
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288 | void ValueStorage::setCurrentValue(const char * name, std::vector<const atom *>&_T)
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289 | {
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290 | if (typeid( std::vector<const atom *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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291 | std::ostringstream stream;
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292 | for (std::vector<const atom *>::const_iterator iter = _T.begin(); iter != _T.end(); ++iter) {
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293 | stream << (*iter)->getId() << " ";
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294 | }
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295 | CurrentValueMap[name] = stream.str();
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296 | } else
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297 | throw IllegalTypeException(__FILE__,__LINE__);
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298 | }
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299 |
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300 | void ValueStorage::setCurrentValue(const char * name, std::vector<const element *>&_T)
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301 | {
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302 | if (typeid( std::vector<const element *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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303 | std::ostringstream stream;
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304 | for (std::vector<const element *>::const_iterator iter = _T.begin(); iter != _T.end(); ++iter) {
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305 | stream << (*iter)->getAtomicNumber() << " ";
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306 | }
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307 | CurrentValueMap[name] = stream.str();
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308 | } else
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309 | throw IllegalTypeException(__FILE__,__LINE__);
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310 | }
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311 |
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312 | void ValueStorage::setCurrentValue(const char * name, std::vector<const molecule *>&_T)
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313 | {
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314 | if (typeid( std::vector<const molecule *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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315 | std::ostringstream stream;
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316 | for (std::vector<const molecule *>::const_iterator iter = _T.begin(); iter != _T.end(); ++iter) {
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317 | stream << (*iter)->getId() << " ";
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318 | }
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319 | CurrentValueMap[name] = stream.str();
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320 | } else
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321 | throw IllegalTypeException(__FILE__,__LINE__);
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322 | }
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323 |
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324 | void ValueStorage::setCurrentValue(const char * name, boost::filesystem::path &_T)
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325 | {
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326 | if (typeid( boost::filesystem::path ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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327 | std::ostringstream stream;
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328 | stream << _T.string();
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329 | CurrentValueMap[name] = stream.str();
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330 | } else
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331 | throw IllegalTypeException(__FILE__,__LINE__);
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332 | }
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333 |
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334 | const std::string ValueStorage::getCurrentValue(std::string actionname) {
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335 | return CurrentValueMap[actionname];
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336 | }
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337 |
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338 | CONSTRUCT_SINGLETON(ValueStorage)
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