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) 2010-2012 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 "CodePatterns/MemDebug.hpp"
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21 |
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22 | #include "CodePatterns/Singleton_impl.hpp"
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23 |
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24 | #include <iostream>
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25 |
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26 | #include "Actions/OptionTrait.hpp"
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27 | #include "Actions/OptionRegistry.hpp"
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28 | #include "Actions/Values.hpp"
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29 | #include "Actions/ValueStorage.hpp"
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30 | #include "Descriptors/AtomIdDescriptor.hpp"
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31 | #include "Descriptors/MoleculeIdDescriptor.hpp"
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32 | #include "CodePatterns/Assert.hpp"
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33 | #include "CodePatterns/Log.hpp"
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34 | #include "CodePatterns/Verbose.hpp"
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35 | #include "LinearAlgebra/BoxVector.hpp"
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36 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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37 | #include "LinearAlgebra/Vector.hpp"
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38 | #include "RandomNumbers/RandomNumberDistribution_Parameters.hpp"
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39 | #include "Atom/atom.hpp"
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40 | #include "Box.hpp"
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41 | #include "Element/element.hpp"
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42 | #include "molecule.hpp"
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43 | #include "Element/periodentafel.hpp"
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44 | #include "World.hpp"
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45 |
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46 | ValueStorage::ValueStorage() :
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47 | OptionRegistry_instance(MoleCuilder::OptionRegistry::getInstance())
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48 | {};
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49 |
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50 | ValueStorage::~ValueStorage() {};
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51 |
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52 |
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53 | bool ValueStorage::isCurrentValuePresent(const char *name) const
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54 | {
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55 | return (CurrentValueMap.find(name) != CurrentValueMap.end());
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56 | }
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57 |
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58 | void ValueStorage::queryCurrentValue(const char * name, const atom * &_T)
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59 | {
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60 | int atomID = -1;
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61 | if (typeid( atom *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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62 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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63 | throw MissingValueException() << ValueStorageOptionName(name);
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64 | atomID = lexical_cast<int>(CurrentValueMap[name].c_str());
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65 | CurrentValueMap.erase(name);
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66 | } else if (typeid( const atom *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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67 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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68 | throw MissingValueException() << ValueStorageOptionName(name);
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69 | atomID = lexical_cast<int>(CurrentValueMap[name].c_str());
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70 | CurrentValueMap.erase(name);
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71 | } else
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72 | throw IllegalTypeException() << ValueStorageOptionName(name)
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73 | << ValueStoragePairTypeName(std::make_pair(
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74 | typeid(_T).name(),
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75 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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76 | );
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77 | _T = World::getInstance().getAtom(AtomById(atomID));
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78 | }
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79 |
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80 | void ValueStorage::queryCurrentValue(const char * name, const element * &_T) {
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81 | int Z = -1;
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82 | if (typeid(const element *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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83 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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84 | throw MissingValueException() << ValueStorageOptionName(name);
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85 | Z = lexical_cast<int>(CurrentValueMap[name].c_str());
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86 | CurrentValueMap.erase(name);
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87 | } else
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88 | throw IllegalTypeException() << ValueStorageOptionName(name)
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89 | << ValueStoragePairTypeName(std::make_pair(
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90 | typeid(_T).name(),
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91 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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92 | );
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93 | _T = World::getInstance().getPeriode()->FindElement(Z);
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94 | }
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95 |
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96 | void ValueStorage::queryCurrentValue(const char * name, const molecule * &_T) {
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97 | int molID = -1;
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98 | if (typeid( const molecule *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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99 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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100 | throw MissingValueException() << ValueStorageOptionName(name);
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101 | molID = lexical_cast<int>(CurrentValueMap[name].c_str());
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102 | CurrentValueMap.erase(name);
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103 | } else
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104 | throw IllegalTypeException() << ValueStorageOptionName(name)
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105 | << ValueStoragePairTypeName(std::make_pair(
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106 | typeid(_T).name(),
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107 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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108 | );
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109 | _T = World::getInstance().getMolecule(MoleculeById(molID));
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110 | }
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111 |
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112 | void ValueStorage::queryCurrentValue(const char * name, class Box &_T) {
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113 | RealSpaceMatrix M;
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114 | double tmp;
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115 | if (typeid( Box ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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116 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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117 | throw MissingValueException() << ValueStorageOptionName(name);
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118 | std::istringstream stream(CurrentValueMap[name]);
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119 | stream >> tmp;
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120 | M.set(0,0,tmp);
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121 | stream >> tmp;
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122 | M.set(0,1,tmp);
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123 | M.set(1,0,tmp);
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124 | stream >> tmp;
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125 | M.set(0,2,tmp);
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126 | M.set(2,0,tmp);
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127 | stream >> tmp;
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128 | M.set(1,1,tmp);
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129 | stream >> tmp;
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130 | M.set(1,2,tmp);
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131 | M.set(2,1,tmp);
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132 | stream >> tmp;
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133 | M.set(2,2,tmp);
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134 | _T = M;
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135 | CurrentValueMap.erase(name);
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136 | } else
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137 | throw IllegalTypeException() << ValueStorageOptionName(name)
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138 | << ValueStoragePairTypeName(std::make_pair(
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139 | typeid(_T).name(),
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140 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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141 | );
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142 | }
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143 |
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144 | void ValueStorage::queryCurrentValue(const char * name, class Vector &_T) {
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145 | if (typeid( Vector ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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146 | std::istringstream stream(CurrentValueMap[name]);
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147 | CurrentValueMap.erase(name);
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148 | for (size_t i = 0; i < NDIM; ++i) {
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149 | stream >> _T[i];
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150 | ASSERT(!stream.fail(),
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151 | "ValueStorage::queryCurrentValue() - Vector in value map has only "+toString(i)+" components!");
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152 | }
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153 | } else
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154 | throw IllegalTypeException() << ValueStorageOptionName(name)
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155 | << ValueStoragePairTypeName(std::make_pair(
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156 | typeid(_T).name(),
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157 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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158 | );
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159 | }
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160 |
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161 | void ValueStorage::queryCurrentValue(const char * name, class BoxVector &_T) {
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162 | if (typeid( BoxVector ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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163 | std::istringstream stream(CurrentValueMap[name]);
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164 | CurrentValueMap.erase(name);
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165 | for (size_t i = 0; i < NDIM; ++i) {
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166 | stream >> _T[i];
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167 | ASSERT(!stream.fail(),
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168 | "ValueStorage::queryCurrentValue() - BoxVector in value map has only "+toString(i)+" components!");
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169 | }
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170 | } else
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171 | throw IllegalTypeException() << ValueStorageOptionName(name)
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172 | << ValueStoragePairTypeName(std::make_pair(
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173 | typeid(_T).name(),
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174 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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175 | );
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176 | }
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177 |
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178 | void ValueStorage::queryCurrentValue(const char * name, class RandomNumberDistribution_Parameters &_T) {
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179 | if (typeid( RandomNumberDistribution_Parameters ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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180 | std::istringstream stream(CurrentValueMap[name]);
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181 | LOG(0, "ValueStorage::queryCurrentValue() for "+toString(name)+" is "+CurrentValueMap[name]+".");
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182 | CurrentValueMap.erase(name);
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183 | stream >> _T;
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184 | ASSERT(!stream.fail(),
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185 | "ValueStorage::queryCurrentValue() - RandomNumberDistribution_Parameters in value map has only no components!");
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186 | } else
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187 | throw IllegalTypeException() << ValueStorageOptionName(name)
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188 | << ValueStoragePairTypeName(std::make_pair(
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189 | typeid(_T).name(),
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190 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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191 | );
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192 | }
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193 |
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194 | void ValueStorage::queryCurrentValue(const char * name, std::vector<const atom *>&_T)
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195 | {
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196 | int atomID = -1;
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197 | size_t count = 0;
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198 | atom *Walker = NULL;
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199 | if (typeid( std::vector<const atom *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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200 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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201 | throw MissingValueException() << ValueStorageOptionName(name);
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202 | std::istringstream stream(CurrentValueMap[name]);
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203 | CurrentValueMap.erase(name);
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204 | while (!stream.fail()) {
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205 | stream >> atomID >> ws;
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206 | ASSERT((!stream.fail()) || (count != 0),
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207 | "ValueStorage::queryCurrentValue() - Atom is missing id!");
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208 | if (!stream.fail()) {
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209 | Walker = World::getInstance().getAtom(AtomById(atomID));
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210 | if (Walker != NULL)
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211 | _T.push_back(Walker);
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212 | atomID = -1;
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213 | Walker = NULL;
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214 | ++count;
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215 | }
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216 | }
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217 | } else
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218 | throw IllegalTypeException() << ValueStorageOptionName(name)
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219 | << ValueStoragePairTypeName(std::make_pair(
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220 | typeid(_T).name(),
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221 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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222 | );
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223 | }
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224 |
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225 | void ValueStorage::queryCurrentValue(const char * name, std::vector<const element *>&_T)
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226 | {
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227 | int Z = -1;
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228 | size_t count = 0;
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229 | const element *elemental = NULL;
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230 | if (typeid( std::vector<const element *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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231 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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232 | throw MissingValueException() << ValueStorageOptionName(name);
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233 | std::istringstream stream(CurrentValueMap[name]);
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234 | CurrentValueMap.erase(name);
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235 | while (!stream.fail()) {
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236 | stream >> Z >> ws;
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237 | ASSERT((!stream.fail()) || (count != 0),
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238 | "ValueStorage::queryCurrentValue() - atomic number is missing!");
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239 | if (!stream.fail()) {
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240 | elemental = World::getInstance().getPeriode()->FindElement(Z);
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241 | if (elemental != NULL)
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242 | _T.push_back(elemental);
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243 | Z = -1;
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244 | ++count;
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245 | }
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246 | }
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247 | } else
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248 | throw IllegalTypeException() << ValueStorageOptionName(name)
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249 | << ValueStoragePairTypeName(std::make_pair(
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250 | typeid(_T).name(),
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251 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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252 | );
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253 | }
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254 |
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255 | void ValueStorage::queryCurrentValue(const char * name, std::vector<const molecule *>&_T)
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256 | {
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257 | int molID = -1;
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258 | size_t count = 0;
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259 | molecule *mol = NULL;
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260 | if (typeid( std::vector<const molecule *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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261 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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262 | throw MissingValueException() << ValueStorageOptionName(name);
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263 | std::istringstream stream(CurrentValueMap[name]);
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264 | CurrentValueMap.erase(name);
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265 | while (!stream.fail()) {
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266 | stream >> molID >> ws;
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267 | ASSERT((!stream.fail()) || (count != 0),
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268 | "ValueStorage::queryCurrentValue() - molecule is missing id!");
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269 | if (!stream.fail()) {
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270 | mol = World::getInstance().getMolecule(MoleculeById(molID));
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271 | if (mol != NULL)
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272 | _T.push_back(mol);
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273 | molID = -1;
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274 | mol = NULL;
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275 | ++count;
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276 | }
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277 | }
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278 | } else
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279 | throw IllegalTypeException() << ValueStorageOptionName(name)
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280 | << ValueStoragePairTypeName(std::make_pair(
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281 | typeid(_T).name(),
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282 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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283 | );
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284 | }
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285 |
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286 | void ValueStorage::queryCurrentValue(const char * name, boost::filesystem::path&_T)
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287 | {
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288 | std::string tmp;
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289 | if (typeid( boost::filesystem::path ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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290 | if (CurrentValueMap.find(name) == CurrentValueMap.end())
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291 | throw MissingValueException() << ValueStorageOptionName(name);
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292 | std::istringstream stream(CurrentValueMap[name]);
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293 | CurrentValueMap.erase(name);
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294 | stream >> tmp >> ws;
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295 | ASSERT(!stream.fail(),
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296 | "ValueStorage::queryCurrentValue() - boost::filesystem::path is missing!");
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297 | _T = tmp;
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298 | } else
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299 | throw IllegalTypeException() << ValueStorageOptionName(name)
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300 | << ValueStoragePairTypeName(std::make_pair(
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301 | typeid(_T).name(),
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302 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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303 | );
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304 | }
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305 |
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306 | void ValueStorage::setCurrentValue(const char * name, const atom * &_T)
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307 | {
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308 | if (typeid( const atom *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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309 | std::ostringstream stream;
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310 | stream << _T->getId();
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311 | CurrentValueMap[name] = stream.str();
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312 | } else
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313 | throw IllegalTypeException() << ValueStorageOptionName(name)
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314 | << ValueStoragePairTypeName(std::make_pair(
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315 | typeid(_T).name(),
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316 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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317 | );
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318 | }
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319 |
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320 | void ValueStorage::setCurrentValue(const char * name, const element * &_T)
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321 | {
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322 | if (typeid( const element *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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323 | std::ostringstream stream;
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324 | stream << _T->getAtomicNumber();
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325 | CurrentValueMap[name] = stream.str();
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326 | } else
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327 | throw IllegalTypeException() << ValueStorageOptionName(name)
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328 | << ValueStoragePairTypeName(std::make_pair(
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329 | typeid(_T).name(),
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330 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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331 | );
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332 | }
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333 |
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334 | void ValueStorage::setCurrentValue(const char * name, const molecule * &_T)
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335 | {
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336 | if (typeid( const molecule *) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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337 | std::ostringstream stream;
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338 | stream << _T->getId();
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339 | CurrentValueMap[name] = stream.str();
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340 | } else
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341 | throw IllegalTypeException() << ValueStorageOptionName(name)
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342 | << ValueStoragePairTypeName(std::make_pair(
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343 | typeid(_T).name(),
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344 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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345 | );
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346 | }
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347 |
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348 | void ValueStorage::setCurrentValue(const char * name, class Box &_T)
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349 | {
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350 | const RealSpaceMatrix &M = _T.getM();
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351 | if (typeid( Box ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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352 | std::ostringstream stream;
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353 | stream << M.at(0,0) << " ";
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354 | stream << M.at(0,1) << " ";
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355 | stream << M.at(0,2) << " ";
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356 | stream << M.at(1,1) << " ";
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357 | stream << M.at(1,2) << " ";
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358 | stream << M.at(2,2) << " ";
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359 | CurrentValueMap[name] = stream.str();
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360 | } else
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361 | throw IllegalTypeException() << ValueStorageOptionName(name)
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362 | << ValueStoragePairTypeName(std::make_pair(
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363 | typeid(_T).name(),
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364 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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365 | );
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366 | }
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367 |
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368 | void ValueStorage::setCurrentValue(const char * name, class Vector &_T)
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369 | {
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370 | if (typeid( Vector ) == *(OptionRegistry_instance.getOptionByName(name)->getType())){
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371 | std::ostringstream stream;
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372 | stream << _T[0] << " ";
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373 | stream << _T[1] << " ";
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374 | stream << _T[2] << " ";
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375 | CurrentValueMap[name] = stream.str();
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376 | } else if (typeid( BoxVector ) == *(OptionRegistry_instance.getOptionByName(name)->getType())){
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377 | std::ostringstream stream;
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378 | stream << _T[0] << " ";
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379 | stream << _T[1] << " ";
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380 | stream << _T[2] << " ";
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381 | CurrentValueMap[name] = stream.str();
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382 | } else
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383 | throw IllegalTypeException() << ValueStorageOptionName(name)
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384 | << ValueStoragePairTypeName(std::make_pair(
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385 | typeid(_T).name(),
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386 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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387 | );
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388 | }
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389 |
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390 | void ValueStorage::setCurrentValue(const char * name, class RandomNumberDistribution_Parameters &_T)
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391 | {
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392 | if (typeid( RandomNumberDistribution_Parameters ) == *(OptionRegistry_instance.getOptionByName(name)->getType())){
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393 | std::ostringstream stream;
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394 | stream << _T;
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395 | CurrentValueMap[name] = stream.str();
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396 | LOG(0, "ValueStorage::setCurrentValue() for "+toString(name)+" to "+stream.str()+".");
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397 | } else
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398 | throw IllegalTypeException() << ValueStorageOptionName(name)
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399 | << ValueStoragePairTypeName(std::make_pair(
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400 | typeid(_T).name(),
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401 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
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402 | );
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403 | }
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404 |
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405 | void ValueStorage::setCurrentValue(const char * name, std::vector<const atom *>&_T)
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406 | {
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407 | if (typeid( std::vector<const atom *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
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408 | std::ostringstream stream;
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409 | for (std::vector<const atom *>::const_iterator iter = _T.begin(); iter != _T.end(); ++iter) {
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410 | stream << (*iter)->getId() << " ";
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411 | }
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412 | CurrentValueMap[name] = stream.str();
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413 | } else
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414 | throw IllegalTypeException() << ValueStorageOptionName(name)
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415 | << ValueStoragePairTypeName(std::make_pair(
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416 | typeid(_T).name(),
|
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417 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
|
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418 | );
|
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419 | }
|
---|
420 |
|
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421 | void ValueStorage::setCurrentValue(const char * name, std::vector<const element *>&_T)
|
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422 | {
|
---|
423 | if (typeid( std::vector<const element *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
|
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424 | std::ostringstream stream;
|
---|
425 | for (std::vector<const element *>::const_iterator iter = _T.begin(); iter != _T.end(); ++iter) {
|
---|
426 | stream << (*iter)->getAtomicNumber() << " ";
|
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427 | }
|
---|
428 | CurrentValueMap[name] = stream.str();
|
---|
429 | } else
|
---|
430 | throw IllegalTypeException() << ValueStorageOptionName(name)
|
---|
431 | << ValueStoragePairTypeName(std::make_pair(
|
---|
432 | typeid(_T).name(),
|
---|
433 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
|
---|
434 | );
|
---|
435 | }
|
---|
436 |
|
---|
437 | void ValueStorage::setCurrentValue(const char * name, std::vector<const molecule *>&_T)
|
---|
438 | {
|
---|
439 | if (typeid( std::vector<const molecule *> ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
|
---|
440 | std::ostringstream stream;
|
---|
441 | for (std::vector<const molecule *>::const_iterator iter = _T.begin(); iter != _T.end(); ++iter) {
|
---|
442 | stream << (*iter)->getId() << " ";
|
---|
443 | }
|
---|
444 | CurrentValueMap[name] = stream.str();
|
---|
445 | } else
|
---|
446 | throw IllegalTypeException() << ValueStorageOptionName(name)
|
---|
447 | << ValueStoragePairTypeName(std::make_pair(
|
---|
448 | typeid(_T).name(),
|
---|
449 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
|
---|
450 | );
|
---|
451 | }
|
---|
452 |
|
---|
453 | void ValueStorage::setCurrentValue(const char * name, boost::filesystem::path &_T)
|
---|
454 | {
|
---|
455 | if (typeid( boost::filesystem::path ) == *(OptionRegistry_instance.getOptionByName(name)->getType())) {
|
---|
456 | std::ostringstream stream;
|
---|
457 | stream << _T.string();
|
---|
458 | CurrentValueMap[name] = stream.str();
|
---|
459 | } else
|
---|
460 | throw IllegalTypeException() << ValueStorageOptionName(name)
|
---|
461 | << ValueStoragePairTypeName(std::make_pair(
|
---|
462 | typeid(_T).name(),
|
---|
463 | OptionRegistry_instance.getOptionByName(name)->getTypeName().c_str())
|
---|
464 | );
|
---|
465 | }
|
---|
466 |
|
---|
467 | const std::string ValueStorage::getCurrentValue(std::string actionname) {
|
---|
468 | return CurrentValueMap[actionname];
|
---|
469 | }
|
---|
470 |
|
---|
471 | std::ostream & operator<<(std::ostream &ost, const ValueStorage &value)
|
---|
472 | {
|
---|
473 | ost << "ValueStorage currently contains " << value.CurrentValueMap.size() << " elements:" << std::endl;
|
---|
474 | for (std::map<std::string, std::string>::const_iterator iter = value.CurrentValueMap.begin();
|
---|
475 | iter != value.CurrentValueMap.end();
|
---|
476 | ++iter)
|
---|
477 | ost << iter->first << "->" << iter->second << ", ";
|
---|
478 | return ost;
|
---|
479 | }
|
---|
480 |
|
---|
481 |
|
---|
482 | CONSTRUCT_SINGLETON(ValueStorage)
|
---|