[bcf653] | 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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[75dc28] | 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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[bf3817] | 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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[bbbad5] | 20 | #include "Helpers/MemDebug.hpp"
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[75dc28] | 21 |
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[4c5aaf] | 22 | #include "Patterns/Singleton_impl.hpp"
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[9d33ba] | 23 |
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[e4afb4] | 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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[cca9ef] | 33 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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[e4afb4] | 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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[03c902] | 42 | ValueStorage::ValueStorage() :
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[e4afb4] | 43 | OptionRegistry_instance(OptionRegistry::getInstance())
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[03c902] | 44 | {};
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[75dc28] | 45 |
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| 46 | ValueStorage::~ValueStorage() {};
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| 47 |
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[e4afb4] | 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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[cca9ef] | 97 | RealSpaceMatrix M;
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[e4afb4] | 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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[4885f85] | 185 | }
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| 186 |
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[e4afb4] | 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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[9d33ba] | 206 | }
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| 207 |
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[e4afb4] | 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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[4885f85] | 222 | }
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| 223 |
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[e4afb4] | 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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[cca9ef] | 256 | const RealSpaceMatrix &M = _T.getM();
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[e4afb4] | 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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[4885f85] | 336 | }
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| 337 |
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[75dc28] | 338 | CONSTRUCT_SINGLETON(ValueStorage)
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