| 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/RealSpaceMatrix.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 |   RealSpaceMatrix 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 RealSpaceMatrix &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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