| 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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