1 | /** \file helpers.hpp
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2 | *
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3 | * Declaration of some auxiliary functions for memory dis-/allocation and so on
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4 | */
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5 |
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6 | #ifndef HELPERS_HPP_
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7 | #define HELPERS_HPP_
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8 |
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9 | using namespace std;
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10 |
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11 | /*********************************************** includes ***********************************/
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12 |
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13 | // include config.h
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14 | #ifdef HAVE_CONFIG_H
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15 | #include <config.h>
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16 | #endif
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17 |
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18 | #include <fstream>
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19 |
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20 | #include "defs.hpp"
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21 | #include "Helpers/Log.hpp"
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22 |
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23 | /********************************************** definitions *********************************/
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24 |
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25 | /********************************************** helpful functions *********************************/
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26 |
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27 | // taken out of TREMOLO
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28 | /*@-namechecks@*/
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29 | #ifndef __GNUC__
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30 | # undef __attribute__
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31 | # define __attribute__(x)
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32 | #endif
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33 | /*@=namechecks@*/
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34 |
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35 | /* Behandelt aufgetretene Fehler. error ist der Fehlertyp(enum Errors)
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36 | void *SpecialData ist ein untypisierter Zeiger auf Spezielle Daten zur Fehlerbehandlung.
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37 | Man koennte auch noch einen Zeiger auf eine Funktion uebergeben */
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38 | extern void /*@exits@*/ debug(const char *output);
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39 | //__attribute__ ((__return__));
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40 | #define debug(data) debug_in((data), __FILE__, __LINE__)
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41 |
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42 | extern void /*@exits@*/ debug_in(const char *output,
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43 | const char *file, const int line);
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44 | //__attribute__ ((__return__));
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45 |
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46 | double ask_value(const char *text);
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47 | bool check_bounds(double *x, double *cell_size);
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48 | void bound(double *b, double lower_bound, double upper_bound);
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49 | int CountLinesinFile(ifstream &InputFile);
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50 | char *FixedDigitNumber(const int FragmentNumber, const int digits);
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51 | bool IsValidNumber( const char *string);
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52 | int CompareDoubles (const void * a, const void * b);
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53 | void performCriticalExit();
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54 |
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55 | /********************************************** helpful template functions *********************************/
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56 |
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57 |
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58 | /** returns greater of the two values.
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59 | * \param x first value
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60 | * \param y second value
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61 | * \return greater of the two (by operator>())
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62 | */
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63 | template <typename T> T Max(T x, T y)
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64 | {
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65 | if (x > y)
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66 | return x;
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67 | else return y;
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68 | };
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69 |
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70 | /** returns smaller of the two values.
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71 | * \param x first value
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72 | * \param y second value
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73 | * \return smaller of the two (by operator<())
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74 | */
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75 | template <typename T> T Min(T x, T y)
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76 | {
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77 | if (x < y)
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78 | return x;
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79 | else return y;
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80 | };
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81 |
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82 | /** Creates a lookup table for true father's Atom::Nr -> atom ptr.
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83 | * \param *start begin of chain list
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84 | * \paran *end end of chain list
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85 | * \param **Lookuptable pointer to return allocated lookup table (should be NULL on start)
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86 | * \param count optional predetermined size for table (otherwise we set the count to highest true father id)
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87 | * \return true - success, false - failure
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88 | */
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89 | template <typename T> bool CreateFatherLookupTable(T *start, T *end, T **&LookupTable, int count = 0)
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90 | {
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91 | bool status = true;
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92 | T *Walker = NULL;
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93 | int AtomNo;
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94 |
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95 | if (LookupTable != NULL) {
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96 | DoeLog(0) && (eLog() << Verbose(0) << "Pointer for Lookup table is not NULL! Aborting ..." <<endl);
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97 | return false;
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98 | }
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99 |
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100 | // count them
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101 | if (count == 0) {
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102 | Walker = start;
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103 | while (Walker->next != end) { // create a lookup table (Atom::nr -> atom) used as a marker table lateron
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104 | Walker = Walker->next;
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105 | count = (count < Walker->GetTrueFather()->nr) ? Walker->GetTrueFather()->nr : count;
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106 | }
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107 | }
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108 | if (count <= 0) {
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109 | DoeLog(1) && (eLog() << Verbose(1) << "Count of lookup list is 0 or less." << endl);
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110 | return false;
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111 | }
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112 |
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113 | // allocate and fill
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114 | LookupTable = new T*[count];
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115 | if (LookupTable == NULL) {
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116 | DoeLog(0) && (eLog()<< Verbose(0) << "LookupTable memory allocation failed!" << endl);
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117 | performCriticalExit();
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118 | status = false;
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119 | } else {
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120 | Walker = start;
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121 | while (Walker->next != end) { // create a lookup table (Atom::nr -> atom) used as a marker table lateron
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122 | Walker = Walker->next;
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123 | AtomNo = Walker->GetTrueFather()->nr;
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124 | if ((AtomNo >= 0) && (AtomNo < count)) {
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125 | //*out << "Setting LookupTable[" << AtomNo << "] to " << *Walker << endl;
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126 | LookupTable[AtomNo] = Walker;
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127 | } else {
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128 | DoeLog(2) && (eLog() << Verbose(2) << "Walker " << *Walker << " exceeded range of nuclear ids [0, " << count << ")." << endl);
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129 | status = false;
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130 | break;
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131 | }
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132 | }
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133 | }
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134 |
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135 | return status;
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136 | };
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137 |
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138 |
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139 | /** Frees a two-dimensional array.
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140 | * \param *ptr pointer to array
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141 | * \param dim first dim of array
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142 | */
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143 | template <typename X> void Free2DArray(X **ptr, int dim)
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144 | {
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145 | int i;
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146 | if (ptr != NULL) {
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147 | for(i=dim;i--;)
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148 | if (ptr[i] != NULL)
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149 | free(ptr[i]);
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150 | free(ptr);
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151 | }
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152 | };
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153 |
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154 | template <typename T> void Increment(T *value, T *inc)
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155 | {
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156 | *value += *inc;
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157 | };
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158 |
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159 | template <typename T> void AbsoluteValue(T *value, T *abs)
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160 | {
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161 | *value = *abs;
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162 | };
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163 |
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164 | template <typename T> void IncrementalAbsoluteValue(T *value, T *abs)
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165 | {
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166 | *value = *abs;
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167 | (*abs) += 1;
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168 | };
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169 |
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170 | #define PLURAL_S(v) (((v)==1)?"":"s")
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171 |
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172 | // this is to allow different modes of access for
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173 | // maps and sets
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174 | template<typename Res,typename T>
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175 | struct _take{
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176 | Res get(T value) const;
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177 | };
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178 |
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179 | // if we have a set,vector etc we can directly access the result
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180 | template<typename Res>
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181 | struct _take<Res,Res>{
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182 | static inline Res get(Res value){
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183 | return value;
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184 | }
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185 | };
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186 |
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187 | // if we have a map we have to access the second part of
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188 | // the pair
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189 | template<typename Res,typename T1>
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190 | struct _take<Res,std::pair<T1,Res> >{
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191 | static inline Res get(std::pair<T1,Res> value){
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192 | return value.second;
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193 | }
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194 | };
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195 |
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196 | /************ struct to contain simple enumerations ***************/
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197 | template <class C>
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198 | struct enumeration{
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199 | enumeration() : max(0) {}
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200 | enumeration(unsigned int i) : max(i) {}
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201 | enumeration(const enumeration &src) :
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202 | there(src.there),
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203 | back(src.back),
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204 | max(src.max)
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205 | {}
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206 | enumeration &operator=(const enumeration &src){
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207 | /* no self-assignment check needed */
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208 | there = src.there;
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209 | back = src.back;
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210 | max = src.max;
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211 | return *this;
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212 | }
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213 | void add(const C &value){
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214 | if(!there.count(value)){
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215 | there[value]=max;
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216 | back[max++]=value;
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217 | }
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218 | }
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219 | unsigned int getMax() const{
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220 | return max;
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221 | }
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222 |
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223 | map<C,unsigned int> there;
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224 | map<unsigned int,C> back;
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225 | private:
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226 | unsigned int max;
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227 | };
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228 |
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229 | /***** A counter to generate sequential numbers *******************/
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230 | struct counter{
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231 | inline counter() : count(0){};
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232 | inline counter(int i) : count(i){};
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233 | inline unsigned int operator()(){
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234 | return count++;
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235 | }
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236 | private:
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237 | unsigned int count;
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238 | };
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239 |
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240 | template <class C,class ForwardIterator>
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241 | enumeration<C> enumerate(ForwardIterator first,ForwardIterator last){
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242 | enumeration<C> res;
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243 | for_each(first,last,bind1st(mem_fun(&enumeration<C>::add),&res));
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244 | return res;
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245 | }
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246 |
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247 | #endif /*HELPERS_HPP_*/
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