1 | /*
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2 | * StreamOperators.hpp
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3 | *
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4 | * Created on: Apr 16, 2012
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5 | * Author: ankele, heber
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6 | */
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7 |
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8 | #ifndef STREAMOPERATORS_HPP_
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9 | #define STREAMOPERATORS_HPP_
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10 |
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11 | // include config.h
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12 | #ifdef HAVE_CONFIG_H
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13 | #include <config.h>
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14 | #endif
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15 |
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16 | #include <boost/tokenizer.hpp>
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17 | #include <string>
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18 | #include <sstream>
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19 | #include <iosfwd>
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20 |
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21 | #include "LinearAlgebra/Vector.hpp"
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22 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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23 | #include "Box.hpp"
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24 | #include "Descriptors/AtomIdDescriptor.hpp"
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25 | #include "Descriptors/MoleculeIdDescriptor.hpp"
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26 | #include "Element/periodentafel.hpp"
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27 | #include "World.hpp"
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28 |
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29 | #include "CodePatterns/Assert.hpp"
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30 |
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31 | class atom;
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32 | class element;
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33 | class molecule;
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34 |
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35 | /** Returns a single line from \a ist without leading and ending brackets.
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36 | *
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37 | * @param ist stream to get line from
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38 | * @return line as string without ()
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39 | */
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40 | inline std::string getLine(std::istream& ist)
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41 | {
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42 | std::string line;
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43 | getline(ist,line);
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44 |
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45 | if (!line.empty() && line[0] == '(')
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46 | line.erase(0, 1);
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47 | if (!line.empty() && line[line.size() - 1] == ')')
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48 | line.erase(line.size() - 1, 1);
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49 |
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50 | return line;
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51 | }
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52 |
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53 | inline std::istream& operator>>(std::istream& ist, Vector& m)
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54 | {
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55 | std::string line = getLine(ist);
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56 |
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57 | // dissect by " " or ","
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58 | ConvertTo<double> converter;
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59 | std::vector<double> temp_vector;
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60 | boost::char_separator<char> sep(", ");
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61 | boost::tokenizer<boost::char_separator<char> > tok(line, sep);
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62 | for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
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63 | iter != tok.end(); ++iter)
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64 | temp_vector.push_back(converter(*iter));
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65 | ASSERT (temp_vector.size() == (size_t)NDIM,
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66 | "operator>>(std::istream& ist, Vector& m) - not "+toString((size_t)NDIM)+" but "
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67 | +toString(temp_vector.size())+" components given.");
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68 | for (size_t i=0;i<NDIM;++i)
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69 | m[i] = temp_vector[i];
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70 | return ist;
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71 | };
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72 |
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73 | inline std::istream& operator>>(std::istream& ist, RealSpaceMatrix& m)
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74 | {
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75 | std::string line = getLine(ist);
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76 |
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77 | // dissect by " " or ","
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78 | ConvertTo<double> converter;
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79 | std::vector<double> temp_vector;
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80 | boost::char_separator<char> sep(", ");
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81 | boost::tokenizer<boost::char_separator<char> > tok(line, sep);
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82 | for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
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83 | iter != tok.end(); ++iter)
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84 | temp_vector.push_back(converter(*iter));
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85 | ASSERT (temp_vector.size() == (size_t)NDIM*(NDIM+1)/2,
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86 | "operator>>(std::istream& ist, RealSpaceMatrix& m) - not "+toString((size_t)NDIM*((size_t)NDIM+1)/2)+" but "
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87 | +toString(temp_vector.size())+" components given.");
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88 | m.set(0,0, temp_vector[0]);
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89 | m.set(0,1, temp_vector[1]);
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90 | m.set(0,2, temp_vector[2]);
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91 | m.set(1,0, temp_vector[1]);
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92 | m.set(1,1, temp_vector[3]);
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93 | m.set(1,2, temp_vector[4]);
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94 | m.set(2,0, temp_vector[2]);
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95 | m.set(2,1, temp_vector[4]);
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96 | m.set(2,2, temp_vector[5]);
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97 | return ist;
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98 | };
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99 |
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100 | inline std::istream& operator>>(std::istream& ist, Box& m)
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101 | {
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102 | RealSpaceMatrix M;
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103 | ist >> M;
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104 | m.setM(M);
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105 | return ist;
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106 | };
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107 |
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108 |
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109 | inline std::istream& operator>>(std::istream& ist, const atom* & m)
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110 | {
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111 | std::string line = getLine(ist);
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112 |
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113 | ConvertTo<unsigned int> converter;
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114 | const atomId_t temp_value = converter(line);
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115 | const atom * const a = const_cast<const World &>(World::getInstance()).
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116 | getAtom(AtomById(temp_value));
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117 | ASSERT( a != NULL,
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118 | "operator>>(std::istream& ist, const atom* & m) - atom molecule id "
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119 | +toString(temp_value)+".");
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120 | m = a;
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121 | return ist;
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122 | }
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123 |
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124 | inline std::istream& operator>>(std::istream& ist, const molecule* & m)
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125 | {
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126 | std::string line = getLine(ist);
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127 |
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128 | ConvertTo<unsigned int> converter;
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129 | const moleculeId_t temp_value = converter(line);
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130 | const molecule * const mol = const_cast<const World &>(World::getInstance()).
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131 | getMolecule(MoleculeById(temp_value));
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132 | ASSERT( mol != NULL,
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133 | "operator>>(std::istream& ist, const molecule* & m) - invalid molecule id "
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134 | +toString(temp_value)+".");
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135 | m = mol;
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136 | return ist;
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137 | }
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138 |
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139 |
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140 | inline std::istream& operator>>(std::istream& ist, const element* & m)
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141 | {
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142 | std::string line = getLine(ist);
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143 |
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144 | ConvertTo<unsigned int> converter;
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145 | const atomicNumber_t temp_value = converter(line);
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146 | const element *elem = World::getInstance().getPeriode()->FindElement(temp_value);
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147 | ASSERT( elem != NULL,
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148 | "operator>>(std::istream& ist, const element* & m) - invalid atomic number "
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149 | +toString(temp_value)+".");
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150 | m = elem;
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151 | return ist;
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152 | }
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153 |
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154 |
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155 | inline std::istream& operator>>(std::istream& ist, std::vector<const molecule*> & m)
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156 | {
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157 | std::string line = getLine(ist);
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158 |
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159 | // dissect by " " or ","
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160 | boost::char_separator<char> sep(", ");
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161 | boost::tokenizer<boost::char_separator<char> > tok(line, sep);
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162 | ConvertTo<unsigned int> converter;
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163 | for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
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164 | iter != tok.end(); ++iter) {
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165 | const moleculeId_t temp_value = converter(*iter);
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166 | const molecule *mol = const_cast<const World &>(World::getInstance()).
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167 | getMolecule(MoleculeById(temp_value));
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168 | ASSERT( mol != NULL,
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169 | "operator>>(std::istream& ist, std::vector<const molecule*> & m) - invalid molecule id "
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170 | +toString(temp_value)+".");
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171 | m.push_back(mol);
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172 | }
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173 | return ist;
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174 | }
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175 |
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176 |
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177 | inline std::istream& operator>>(std::istream& ist, std::vector<const atom*> & m)
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178 | {
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179 | std::string line = getLine(ist);
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180 |
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181 | // dissect by " " or ","
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182 | boost::char_separator<char> sep(", ");
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183 | boost::tokenizer<boost::char_separator<char> > tok(line, sep);
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184 | ConvertTo<unsigned int> converter;
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185 | for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
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186 | iter != tok.end(); ++iter) {
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187 | const atomId_t temp_value = converter(line);
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188 | const atom * const a = const_cast<const World &>(World::getInstance()).
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189 | getAtom(AtomById(temp_value));
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190 | ASSERT( a != NULL,
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191 | "operator>>(std::istream& ist, std::vector<const atom*> & m) - invalid atom id "
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192 | +toString(temp_value)+".");
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193 | m.push_back(a);
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194 | }
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195 | return ist;
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196 | }
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197 |
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198 | inline std::istream& operator>>(std::istream& ist, std::vector<const element*> & m)
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199 | {
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200 | std::string line = getLine(ist);
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201 |
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202 | // dissect by " " or ","
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203 | boost::char_separator<char> sep(", ");
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204 | boost::tokenizer<boost::char_separator<char> > tok(line, sep);
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205 | ConvertTo<unsigned int> converter;
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206 | for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
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207 | iter != tok.end(); ++iter) {
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208 | const atomicNumber_t temp_value = converter(*iter);
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209 | const element * const elem = World::getInstance().getPeriode()->FindElement(temp_value);
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210 | ASSERT( elem != NULL,
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211 | "operator>>(std::istream& ist, std::vector<const element*> & m) - invalid atomic number "
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212 | +toString(temp_value)+".");
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213 | m.push_back(elem);
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214 | }
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215 | return ist;
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216 | }
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217 |
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218 |
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219 | inline std::istream& operator>>(std::istream& ist, std::vector<std::string> & m)
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220 | {
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221 | std::string line = getLine(ist);
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222 |
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223 | // dissect by " " or ","
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224 | boost::char_separator<char> sep(", ");
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225 | boost::tokenizer<boost::char_separator<char> > tok(line, sep);
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226 | for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
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227 | iter != tok.end(); ++iter)
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228 | m.push_back(*iter);
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229 | return ist;
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230 | }
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231 |
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232 | inline std::istream& operator>>(std::istream& ist, std::vector<unsigned int> & m)
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233 | {
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234 | std::string line = getLine(ist);
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235 |
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236 | // dissect by " " or ","
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237 | boost::char_separator<char> sep(", ");
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238 | boost::tokenizer<boost::char_separator<char> > tok(line, sep);
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239 | ConvertTo<unsigned int> converter;
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240 | for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
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241 | iter != tok.end(); ++iter)
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242 | m.push_back(converter(*iter));
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243 | return ist;
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244 | }
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245 |
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246 |
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247 | #endif /* STREAMOPERATORS_HPP_ */
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