| 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 "log.hpp"
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| 22 | #include "memoryallocator.hpp"
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| 23 | 
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| 24 | /********************************************** definitions *********************************/
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| 25 | 
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| 26 | /********************************************** helpful functions *********************************/
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| 27 | 
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| 28 | // taken out of TREMOLO
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| 29 | /*@-namechecks@*/
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| 30 | #ifndef __GNUC__
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| 31 | # undef __attribute__
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| 32 | # define __attribute__(x)
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| 33 | #endif
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| 34 | /*@=namechecks@*/
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| 35 | 
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| 36 | /* Behandelt aufgetretene Fehler. error ist der Fehlertyp(enum Errors)
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| 37 |    void *SpecialData ist ein untypisierter Zeiger auf Spezielle Daten zur Fehlerbehandlung.
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| 38 |    Man koennte auch noch einen Zeiger auf eine Funktion uebergeben */
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| 39 | extern void /*@exits@*/ debug(const char *output);
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| 40 |   //__attribute__ ((__return__));
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| 41 | #define debug(data) debug_in((data), __FILE__, __LINE__)
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| 42 | 
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| 43 | extern void /*@exits@*/ debug_in(const char *output,
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| 44 |     const char *file, const int line);
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| 45 |   //__attribute__ ((__return__));
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| 46 | 
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| 47 | double ask_value(const char *text);
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| 48 | bool check_bounds(double *x, double *cell_size);
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| 49 | void bound(double *b, double lower_bound, double upper_bound);
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| 50 | int CountLinesinFile(ifstream &InputFile);
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| 51 | char *FixedDigitNumber(const int FragmentNumber, const int digits);
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| 52 | bool IsValidNumber( const char *string);
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| 53 | int CompareDoubles (const void * a, const void * b);
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| 54 | void performCriticalExit();
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| 55 | 
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| 56 | /********************************************** helpful template functions *********************************/
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| 57 | 
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| 58 | 
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| 59 | /** returns greater of the two values.
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| 60 |  * \param x first value
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| 61 |  * \param y second value
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| 62 |  * \return greater of the two (by operator>())
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| 63 |  */
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| 64 | template <typename T> T Max(T x, T y)
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| 65 | {
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| 66 |   if (x > y)
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| 67 |     return x;
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| 68 |   else return y;
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| 69 | };
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| 70 | 
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| 71 | /** returns smaller of the two values.
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| 72 |  * \param x first value
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| 73 |  * \param y second value
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| 74 |  * \return smaller of the two (by operator<())
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| 75 |  */
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| 76 | template <typename T> T Min(T x, T y)
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| 77 | {
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| 78 |   if (x < y)
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| 79 |     return x;
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| 80 |   else return y;
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| 81 | };
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| 82 | 
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| 83 | /** Creates a lookup table for true father's Atom::Nr -> atom ptr.
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| 84 |  * \param *start begin of chain list
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| 85 |  * \paran *end end of chain list
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| 86 |  * \param **Lookuptable pointer to return allocated lookup table (should be NULL on start)
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| 87 |  * \param count optional predetermined size for table (otherwise we set the count to highest true father id)
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| 88 |  * \return true - success, false - failure
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| 89 |  */
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| 90 | template <typename T> bool CreateFatherLookupTable(T *start, T *end, T **&LookupTable, int count = 0)
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| 91 | {
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| 92 |   bool status = true;
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| 93 |   T *Walker = NULL;
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| 94 |   int AtomNo;
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| 95 | 
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| 96 |   if (LookupTable != NULL) {
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| 97 |     DoeLog(0) && (eLog() << Verbose(0) << "Pointer for Lookup table is not NULL! Aborting ..." <<endl);
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| 98 |     return false;
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| 99 |   }
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| 100 | 
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| 101 |   // count them
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| 102 |   if (count == 0) {
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| 103 |     Walker = start;
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| 104 |     while (Walker->next != end) { // create a lookup table (Atom::nr -> atom) used as a marker table lateron
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| 105 |       Walker = Walker->next;
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| 106 |       count = (count < Walker->GetTrueFather()->nr) ? Walker->GetTrueFather()->nr : count;
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| 107 |     }
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| 108 |   }
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| 109 |   if (count <= 0) {
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| 110 |     DoeLog(1) && (eLog() << Verbose(1) << "Count of lookup list is 0 or less." << endl);
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| 111 |     return false;
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| 112 |   }
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| 113 | 
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| 114 |   // allocate and fill
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| 115 |   LookupTable = new T*[count];
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| 116 |   if (LookupTable == NULL) {
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| 117 |     DoeLog(0) && (eLog()<< Verbose(0) << "LookupTable memory allocation failed!" << endl);
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| 118 |     performCriticalExit();
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| 119 |     status = false;
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| 120 |   } else {
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| 121 |     Walker = start;
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| 122 |     while (Walker->next != end) { // create a lookup table (Atom::nr -> atom) used as a marker table lateron
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| 123 |       Walker = Walker->next;
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| 124 |       AtomNo = Walker->GetTrueFather()->nr;
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| 125 |       if ((AtomNo >= 0) && (AtomNo < count)) {
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| 126 |         //*out << "Setting LookupTable[" << AtomNo << "] to " << *Walker << endl;
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| 127 |         LookupTable[AtomNo] = Walker;
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| 128 |       } else {
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| 129 |         DoeLog(2) && (eLog() << Verbose(2) << "Walker " << *Walker << " exceeded range of nuclear ids [0, " << count << ")." << endl);
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| 130 |         status = false;
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| 131 |         break;
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| 132 |       }
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| 133 |     }
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| 134 |   }
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| 135 | 
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| 136 |   return status;
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| 137 | };
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| 138 | 
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| 139 | 
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| 140 | /** Frees a two-dimensional array.
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| 141 |  * \param *ptr pointer to array
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| 142 |  * \param dim first dim of array
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| 143 |  */
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| 144 | template <typename X> void Free2DArray(X **ptr, int dim)
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| 145 | {
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| 146 |   int i;
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| 147 |   if (ptr != NULL) {
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| 148 |     for(i=dim;i--;)
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| 149 |       if (ptr[i] != NULL)
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| 150 |         free(ptr[i]);
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| 151 |     free(ptr);
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| 152 |   }
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| 153 | };
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| 154 | 
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| 155 | template <typename T> void Increment(T *value, T *inc)
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| 156 | {
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| 157 |   *value += *inc;
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| 158 | };
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| 159 | 
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| 160 | template <typename T> void AbsoluteValue(T *value, T *abs)
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| 161 | {
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| 162 |   *value = *abs;
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| 163 | };
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| 164 | 
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| 165 | template <typename T> void IncrementalAbsoluteValue(T *value, T *abs)
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| 166 | {
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| 167 |   *value = *abs;
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| 168 |   (*abs) += 1;
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| 169 | };
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| 170 | 
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| 171 | #define PLURAL_S(v) (((v)==1)?"":"s")
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| 172 | 
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| 173 | // this is to allow different modes of access for
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| 174 | // maps and sets
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| 175 | template<typename Res,typename T>
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| 176 | struct _take{
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| 177 |   Res get(T value) const;
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| 178 | };
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| 179 | 
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| 180 | // if we have a set,vector etc we can directly access the result
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| 181 | template<typename Res>
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| 182 | struct _take<Res,Res>{
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| 183 |   static inline Res get(Res value){
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| 184 |     return value;
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| 185 |   }
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| 186 | };
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| 187 | 
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| 188 | // if we have a map we have to access the second part of
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| 189 | // the pair
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| 190 | template<typename Res,typename T1>
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| 191 | struct _take<Res,std::pair<T1,Res> >{
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| 192 |   static inline Res get(std::pair<T1,Res> value){
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| 193 |     return value.second;
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| 194 |   }
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| 195 | };
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| 196 | 
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| 197 | #endif /*HELPERS_HPP_*/
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