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 | * CommandLineDialog.cpp
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10 | *
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11 | * Created on: May 8, 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 <iostream>
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23 | #include <vector>
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24 |
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25 | #include <Descriptors/AtomDescriptor.hpp>
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26 | #include <Descriptors/AtomIdDescriptor.hpp>
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27 | #include <Descriptors/MoleculeDescriptor.hpp>
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28 | #include <Descriptors/MoleculeIdDescriptor.hpp>
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29 | #include "CommandLineUI/CommandLineDialog.hpp"
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30 |
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31 | #include "Actions/Values.hpp"
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32 |
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33 | #include "element.hpp"
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34 | #include "periodentafel.hpp"
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35 | #include "CommandLineParser.hpp"
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36 | #include "defs.hpp"
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37 | #include "Helpers/Log.hpp"
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38 | #include "LinearAlgebra/Matrix.hpp"
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39 | #include "periodentafel.hpp"
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40 | #include "Helpers/Verbose.hpp"
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41 | #include "World.hpp"
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42 | #include "Box.hpp"
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43 |
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44 | #include "atom.hpp"
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45 | #include "element.hpp"
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46 | #include "molecule.hpp"
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47 | #include "LinearAlgebra/Vector.hpp"
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48 |
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49 | using namespace std;
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50 |
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51 |
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52 | CommandLineDialog::CommandLineDialog()
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53 | {
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54 | }
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55 |
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56 | CommandLineDialog::~CommandLineDialog()
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57 | {
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58 | }
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59 |
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60 |
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61 | void CommandLineDialog::queryEmpty(const char* title, string _description){
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62 | registerQuery(new EmptyCommandLineQuery(title, _description));
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63 | }
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64 |
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65 | void CommandLineDialog::queryInt(const char* title, string _description){
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66 | registerQuery(new IntCommandLineQuery(title, _description));
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67 | }
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68 |
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69 | void CommandLineDialog::queryInts(const char* title, string _description){
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70 | registerQuery(new IntsCommandLineQuery(title, _description));
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71 | }
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72 |
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73 | void CommandLineDialog::queryBoolean(const char* title, string _description){
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74 | registerQuery(new BooleanCommandLineQuery(title, _description));
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75 | }
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76 |
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77 | void CommandLineDialog::queryDouble(const char* title, string _description){
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78 | registerQuery(new DoubleCommandLineQuery(title, _description));
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79 | }
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80 |
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81 | void CommandLineDialog::queryDoubles(const char* title, string _description){
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82 | registerQuery(new DoublesCommandLineQuery(title, _description));
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83 | }
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84 |
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85 | void CommandLineDialog::queryString(const char* title, string _description){
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86 | registerQuery(new StringCommandLineQuery(title, _description));
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87 | }
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88 |
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89 | void CommandLineDialog::queryStrings(const char* title, string _description){
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90 | registerQuery(new StringsCommandLineQuery(title, _description));
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91 | }
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92 |
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93 | void CommandLineDialog::queryAtom(const char* title, string _description) {
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94 | registerQuery(new AtomCommandLineQuery(title, _description));
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95 | }
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96 |
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97 | void CommandLineDialog::queryAtoms(const char* title, string _description) {
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98 | registerQuery(new AtomsCommandLineQuery(title, _description));
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99 | }
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100 |
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101 | void CommandLineDialog::queryMolecule(const char* title, string _description) {
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102 | registerQuery(new MoleculeCommandLineQuery(title, _description));
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103 | }
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104 |
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105 | void CommandLineDialog::queryMolecules(const char* title, string _description) {
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106 | registerQuery(new MoleculesCommandLineQuery(title, _description));
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107 | }
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108 |
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109 | void CommandLineDialog::queryVector(const char* title, bool check, string _description) {
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110 | registerQuery(new VectorCommandLineQuery(title,check, _description));
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111 | }
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112 |
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113 | void CommandLineDialog::queryVectors(const char* title, bool check, string _description) {
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114 | registerQuery(new VectorsCommandLineQuery(title,check, _description));
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115 | }
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116 |
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117 | void CommandLineDialog::queryBox(const char* title, string _description) {
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118 | registerQuery(new BoxCommandLineQuery(title,_description));
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119 | }
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120 |
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121 | void CommandLineDialog::queryElement(const char* title, string _description){
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122 | registerQuery(new ElementCommandLineQuery(title, _description));
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123 | }
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124 |
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125 | void CommandLineDialog::queryElements(const char* title, string _description){
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126 | registerQuery(new ElementsCommandLineQuery(title, _description));
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127 | }
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128 |
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129 | /************************** Query Infrastructure ************************/
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130 |
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131 | CommandLineDialog::EmptyCommandLineQuery::EmptyCommandLineQuery(string title, string _description) :
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132 | Dialog::EmptyQuery(title, _description)
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133 | {}
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134 |
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135 | CommandLineDialog::EmptyCommandLineQuery::~EmptyCommandLineQuery() {}
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136 |
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137 | bool CommandLineDialog::EmptyCommandLineQuery::handle() {
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138 | cout << "Message of " << getTitle() << ":\n" << getDescription() << "\n";
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139 | return true;
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140 | }
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141 |
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142 | CommandLineDialog::IntCommandLineQuery::IntCommandLineQuery(string title, string _description) :
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143 | Dialog::IntQuery(title, _description)
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144 | {}
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145 |
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146 | CommandLineDialog::IntCommandLineQuery::~IntCommandLineQuery() {}
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147 |
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148 | bool CommandLineDialog::IntCommandLineQuery::handle() {
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149 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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150 | tmp = CommandLineParser::getInstance().vm[getTitle()].as<int>();
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151 | return true;
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152 | } else {
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153 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing integer for " << getTitle() << "." << endl);
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154 | return false;
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155 | }
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156 | }
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157 |
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158 | CommandLineDialog::IntsCommandLineQuery::IntsCommandLineQuery(string title, string _description) :
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159 | Dialog::IntsQuery(title, _description)
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160 | {}
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161 |
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162 | CommandLineDialog::IntsCommandLineQuery::~IntsCommandLineQuery() {}
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163 |
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164 | bool CommandLineDialog::IntsCommandLineQuery::handle() {
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165 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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166 | tmp = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<int> >();
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167 | return true;
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168 | } else {
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169 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing integers for " << getTitle() << "." << endl);
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170 | return false;
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171 | }
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172 | }
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173 |
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174 | CommandLineDialog::BooleanCommandLineQuery::BooleanCommandLineQuery(string title, string _description) :
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175 | Dialog::BooleanQuery(title, _description)
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176 | {}
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177 |
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178 | CommandLineDialog::BooleanCommandLineQuery::~BooleanCommandLineQuery() {}
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179 |
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180 | bool CommandLineDialog::BooleanCommandLineQuery::handle() {
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181 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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182 | tmp = CommandLineParser::getInstance().vm[getTitle()].as<bool>();
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183 | return true;
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184 | } else {
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185 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing boolean for " << getTitle() << "." << endl);
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186 | return false;
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187 | }
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188 | }
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189 |
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190 | CommandLineDialog::StringCommandLineQuery::StringCommandLineQuery(string title, string _description) :
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191 | Dialog::StringQuery(title, _description)
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192 | {}
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193 |
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194 | CommandLineDialog::StringCommandLineQuery::~StringCommandLineQuery() {}
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195 |
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196 | bool CommandLineDialog::StringCommandLineQuery::handle() {
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197 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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198 | tmp = CommandLineParser::getInstance().vm[getTitle()].as<string>();
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199 | return true;
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200 | } else {
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201 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing string for " << getTitle() << "." << endl);
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202 | return false;
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203 | }
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204 | }
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205 |
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206 | CommandLineDialog::StringsCommandLineQuery::StringsCommandLineQuery(string title, string _description) :
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207 | Dialog::StringsQuery(title, _description)
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208 | {}
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209 |
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210 | CommandLineDialog::StringsCommandLineQuery::~StringsCommandLineQuery() {}
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211 |
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212 | bool CommandLineDialog::StringsCommandLineQuery::handle() {
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213 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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214 | tmp = CommandLineParser::getInstance().vm[getTitle()].as< vector<string> >();
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215 | return true;
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216 | } else {
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217 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing strings for " << getTitle() << "." << endl);
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218 | return false;
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219 | }
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220 | }
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221 |
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222 | CommandLineDialog::DoubleCommandLineQuery::DoubleCommandLineQuery(string title, string _description) :
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223 | Dialog::DoubleQuery(title, _description)
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224 | {}
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225 |
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226 | CommandLineDialog::DoubleCommandLineQuery::~DoubleCommandLineQuery() {}
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227 |
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228 | bool CommandLineDialog::DoubleCommandLineQuery::handle() {
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229 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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230 | tmp = CommandLineParser::getInstance().vm[getTitle()].as<double>();
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231 | return true;
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232 | } else {
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233 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing double for " << getTitle() << "." << endl);
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234 | return false;
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235 | }
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236 | }
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237 |
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238 | CommandLineDialog::DoublesCommandLineQuery::DoublesCommandLineQuery(string title, string _description) :
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239 | Dialog::DoublesQuery(title, _description)
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240 | {}
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241 |
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242 | CommandLineDialog::DoublesCommandLineQuery::~DoublesCommandLineQuery() {}
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243 |
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244 | bool CommandLineDialog::DoublesCommandLineQuery::handle() {
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245 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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246 | tmp = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<double> >();
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247 | return true;
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248 | } else {
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249 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing doubles for " << getTitle() << "." << endl);
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250 | return false;
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251 | }
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252 | }
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253 |
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254 | CommandLineDialog::AtomCommandLineQuery::AtomCommandLineQuery(string title, string _description) :
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255 | Dialog::AtomQuery(title, _description)
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256 | {}
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257 |
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258 | CommandLineDialog::AtomCommandLineQuery::~AtomCommandLineQuery() {}
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259 |
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260 | bool CommandLineDialog::AtomCommandLineQuery::handle() {
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261 | int IdxOfAtom = -1;
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262 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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263 | IdxOfAtom = CommandLineParser::getInstance().vm[getTitle()].as<int>();
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264 | tmp = World::getInstance().getAtom(AtomById(IdxOfAtom));
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265 | return true;
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266 | } else {
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267 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing atom for " << getTitle() << "." << endl);
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268 | return false;
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269 | }
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270 | }
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271 |
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272 | CommandLineDialog::AtomsCommandLineQuery::AtomsCommandLineQuery(string title, string _description) :
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273 | Dialog::AtomsQuery(title, _description)
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274 | {}
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275 |
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276 | CommandLineDialog::AtomsCommandLineQuery::~AtomsCommandLineQuery() {}
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277 |
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278 | bool CommandLineDialog::AtomsCommandLineQuery::handle() {
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279 | std::vector<int> IdxOfAtom;
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280 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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281 | IdxOfAtom = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<int> >();
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282 | for (std::vector<int>::iterator iter = IdxOfAtom.begin(); iter != IdxOfAtom.end(); ++iter) {
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283 | temp = World::getInstance().getAtom(AtomById(*iter));
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284 | if (temp)
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285 | tmp.push_back(temp);
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286 | }
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287 | return true;
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288 | } else {
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289 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing atoms for " << getTitle() << "." << endl);
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290 | return false;
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291 | }
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292 | }
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293 |
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294 | CommandLineDialog::MoleculeCommandLineQuery::MoleculeCommandLineQuery(string title, string _description) :
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295 | Dialog::MoleculeQuery(title, _description)
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296 | {}
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297 |
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298 | CommandLineDialog::MoleculeCommandLineQuery::~MoleculeCommandLineQuery() {}
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299 |
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300 | bool CommandLineDialog::MoleculeCommandLineQuery::handle() {
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301 | int IdxOfMol = -1;
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302 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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303 | IdxOfMol = CommandLineParser::getInstance().vm[getTitle()].as<int>();
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304 | tmp = World::getInstance().getMolecule(MoleculeById(IdxOfMol));
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305 | return true;
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306 | } else {
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307 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing molecule for " << getTitle() << "." << endl);
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308 | return false;
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309 | }
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310 | }
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311 |
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312 | CommandLineDialog::MoleculesCommandLineQuery::MoleculesCommandLineQuery(string title, string _description) :
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313 | Dialog::MoleculesQuery(title, _description)
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314 | {}
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315 |
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316 | CommandLineDialog::MoleculesCommandLineQuery::~MoleculesCommandLineQuery() {}
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317 |
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318 | bool CommandLineDialog::MoleculesCommandLineQuery::handle() {
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319 | std::vector<int> IdxOfMol;
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320 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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321 | IdxOfMol = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<int> >();
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322 | for (std::vector<int>::iterator iter = IdxOfMol.begin(); iter != IdxOfMol.end(); ++iter) {
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323 | temp = World::getInstance().getMolecule(MoleculeById(*iter));
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324 | if (temp)
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325 | tmp.push_back(temp);
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326 | }
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327 | return true;
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328 | } else {
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329 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing molecules for " << getTitle() << "." << endl);
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330 | return false;
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331 | }
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332 | }
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333 |
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334 | CommandLineDialog::VectorCommandLineQuery::VectorCommandLineQuery(string title, bool _check, string _description) :
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335 | Dialog::VectorQuery(title,_check, _description)
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336 | {}
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337 |
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338 | CommandLineDialog::VectorCommandLineQuery::~VectorCommandLineQuery()
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339 | {}
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340 |
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341 | bool CommandLineDialog::VectorCommandLineQuery::handle() {
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342 | VectorValue temp;
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343 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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344 | temp = CommandLineParser::getInstance().vm[getTitle()].as< VectorValue >();
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345 | tmp[0] = temp.x;
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346 | tmp[1] = temp.y;
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347 | tmp[2] = temp.z;
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348 | if ((check) && (!World::getInstance().getDomain().isInside(tmp))) {
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349 | DoeLog(1) && (eLog() << Verbose(1) << "Vector " << tmp << " would be outside of box domain." << endl);
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350 | return false;
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351 | }
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352 | return true;
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353 | } else {
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354 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing vector for " << getTitle() << "." << endl);
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355 | return false;
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356 | }
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357 | }
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358 |
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359 | CommandLineDialog::VectorsCommandLineQuery::VectorsCommandLineQuery(string title, bool _check, string _description) :
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360 | Dialog::VectorsQuery(title,_check, _description)
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361 | {}
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362 |
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363 | CommandLineDialog::VectorsCommandLineQuery::~VectorsCommandLineQuery()
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364 | {}
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365 |
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366 | bool CommandLineDialog::VectorsCommandLineQuery::handle() {
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367 | std::vector<VectorValue> temporary;
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368 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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369 | temporary = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<VectorValue> >();
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370 | for(std::vector<VectorValue>::iterator iter = temporary.begin(); iter != temporary.end(); ++iter) {
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371 | temp[0] = (*iter).x;
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372 | temp[1] = (*iter).y;
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373 | temp[2] = (*iter).z;
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374 | if ((!check) || (World::getInstance().getDomain().isInside(temp)))
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375 | tmp.push_back(temp);
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376 | else
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377 | DoeLog(1) && (eLog() << Verbose(1) << "Vector " << temp << " would be outside of box domain." << endl);
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378 | }
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379 | return true;
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380 | } else {
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381 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing vectors for " << getTitle() << "." << endl);
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382 | return false;
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383 | }
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384 | }
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385 |
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386 | CommandLineDialog::BoxCommandLineQuery::BoxCommandLineQuery(string title, string _description) :
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387 | Dialog::BoxQuery(title, _description)
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388 | {}
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389 |
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390 | CommandLineDialog::BoxCommandLineQuery::~BoxCommandLineQuery()
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391 | {}
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392 |
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393 | bool CommandLineDialog::BoxCommandLineQuery::handle() {
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394 | BoxValue temp;
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395 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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396 | temp = CommandLineParser::getInstance().vm[getTitle()].as< BoxValue >();
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397 | Matrix M;
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398 | M.set(0,0, temp.xx);
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399 | M.set(0,1, temp.yx);
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400 | M.set(0,2, temp.zx);
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401 | M.set(1,0, temp.yx);
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402 | M.set(1,1, temp.yy);
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403 | M.set(1,2, temp.zy);
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404 | M.set(2,0, temp.zx);
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405 | M.set(2,1, temp.zy);
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406 | M.set(2,2, temp.zz);
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407 | tmp.setM(M);
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408 | return true;
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409 | } else {
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410 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing symmetric box matrix for " << getTitle() << "." << endl);
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411 | return false;
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412 | }
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413 | }
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414 |
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415 | CommandLineDialog::ElementCommandLineQuery::ElementCommandLineQuery(string title, string _description) :
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416 | Dialog::ElementQuery(title, _description)
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417 | {}
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418 |
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419 | CommandLineDialog::ElementCommandLineQuery::~ElementCommandLineQuery()
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420 | {}
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421 |
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422 | bool CommandLineDialog::ElementCommandLineQuery::handle() {
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423 | // TODO: vector of ints and removing first is not correctly implemented yet. How to remove from a vector?
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424 | periodentafel *periode = World::getInstance().getPeriode();
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425 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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426 | int Z = CommandLineParser::getInstance().vm[getTitle()].as< int >();
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427 | tmp = periode->FindElement(Z);
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428 | ASSERT(tmp != NULL, "Invalid element specified in ElementCommandLineQuery");
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429 | return true;
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430 | } else {
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431 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing element for " << getTitle() << "." << endl);
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432 | return false;
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433 | }
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434 | }
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435 |
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436 | CommandLineDialog::ElementsCommandLineQuery::ElementsCommandLineQuery(string title, string _description) :
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437 | Dialog::ElementsQuery(title, _description)
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438 | {}
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439 |
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440 | CommandLineDialog::ElementsCommandLineQuery::~ElementsCommandLineQuery()
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441 | {}
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442 |
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443 | bool CommandLineDialog::ElementsCommandLineQuery::handle() {
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444 | // TODO: vector of ints and removing first is not correctly implemented yet. How to remove from a vector?
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445 | periodentafel *periode = World::getInstance().getPeriode();
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446 | if (CommandLineParser::getInstance().vm.count(getTitle())) {
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447 | vector<int> AllElements = CommandLineParser::getInstance().vm[getTitle()].as< vector<int> >();
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448 | for (vector<int>::iterator ZRunner = AllElements.begin(); ZRunner != AllElements.end(); ++ZRunner) {
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449 | temp = periode->FindElement(*ZRunner);
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450 | ASSERT(temp != NULL, "Invalid element specified in ElementCommandLineQuery");
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451 | tmp.push_back(temp);
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452 | }
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453 | return true;
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454 | } else {
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455 | DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing elements for " << getTitle() << "." << endl);
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456 | return false;
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457 | }
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458 | }
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