| 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 | typedef enum { | 
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| 47 | Minus = -1, | 
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| 48 | Zero = 0, | 
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| 49 | Plus = +1 | 
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| 50 | } sign_t; | 
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| 51 |  | 
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| 52 | double ask_value(const char *text); | 
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| 53 | bool check_bounds(double *x, double *cell_size); | 
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| 54 | void bound(double *b, double lower_bound, double upper_bound); | 
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| 55 | int CountLinesinFile(ifstream &InputFile); | 
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| 56 | char *FixedDigitNumber(const int FragmentNumber, const int digits); | 
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| 57 | bool IsValidNumber( const char *string); | 
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| 58 | int CompareDoubles (const void * a, const void * b); | 
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| 59 | void performCriticalExit(); | 
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| 60 | sign_t sign(double value); | 
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| 61 |  | 
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| 62 | /********************************************** helpful template functions *********************************/ | 
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| 63 |  | 
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| 64 |  | 
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| 65 | /** returns greater of the two values. | 
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| 66 | * \param x first value | 
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| 67 | * \param y second value | 
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| 68 | * \return greater of the two (by operator>()) | 
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| 69 | */ | 
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| 70 | template <typename T> T Max(T x, T y) | 
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| 71 | { | 
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| 72 | if (x > y) | 
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| 73 | return x; | 
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| 74 | else return y; | 
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| 75 | }; | 
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| 76 |  | 
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| 77 | /** returns smaller of the two values. | 
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| 78 | * \param x first value | 
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| 79 | * \param y second value | 
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| 80 | * \return smaller of the two (by operator<()) | 
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| 81 | */ | 
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| 82 | template <typename T> T Min(T x, T y) | 
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| 83 | { | 
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| 84 | if (x < y) | 
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| 85 | return x; | 
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| 86 | else return y; | 
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| 87 | }; | 
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| 88 |  | 
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| 89 | /** Creates a lookup table for true father's Atom::Nr -> atom ptr. | 
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| 90 | * \param *start begin of chain list | 
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| 91 | * \paran *end end of chain list | 
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| 92 | * \param **Lookuptable pointer to return allocated lookup table (should be NULL on start) | 
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| 93 | * \param count optional predetermined size for table (otherwise we set the count to highest true father id) | 
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| 94 | * \return true - success, false - failure | 
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| 95 | */ | 
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| 96 | template <typename T> bool CreateFatherLookupTable(T *start, T *end, T **&LookupTable, int count = 0) | 
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| 97 | { | 
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| 98 | bool status = true; | 
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| 99 | T *Walker = NULL; | 
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| 100 | int AtomNo; | 
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| 101 |  | 
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| 102 | if (LookupTable != NULL) { | 
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| 103 | DoeLog(0) && (eLog() << Verbose(0) << "Pointer for Lookup table is not NULL! Aborting ..." <<endl); | 
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| 104 | return false; | 
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| 105 | } | 
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| 106 |  | 
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| 107 | // count them | 
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| 108 | if (count == 0) { | 
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| 109 | Walker = start; | 
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| 110 | while (Walker->next != end) { // create a lookup table (Atom::nr -> atom) used as a marker table lateron | 
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| 111 | Walker = Walker->next; | 
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| 112 | count = (count < Walker->GetTrueFather()->nr) ? Walker->GetTrueFather()->nr : count; | 
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| 113 | } | 
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| 114 | } | 
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| 115 | if (count <= 0) { | 
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| 116 | DoeLog(1) && (eLog() << Verbose(1) << "Count of lookup list is 0 or less." << endl); | 
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| 117 | return false; | 
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| 118 | } | 
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| 119 |  | 
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| 120 | // allocate and fill | 
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| 121 | LookupTable = new T*[count]; | 
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| 122 | if (LookupTable == NULL) { | 
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| 123 | DoeLog(0) && (eLog()<< Verbose(0) << "LookupTable memory allocation failed!" << endl); | 
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| 124 | performCriticalExit(); | 
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| 125 | status = false; | 
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| 126 | } else { | 
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| 127 | Walker = start; | 
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| 128 | while (Walker->next != end) { // create a lookup table (Atom::nr -> atom) used as a marker table lateron | 
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| 129 | Walker = Walker->next; | 
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| 130 | AtomNo = Walker->GetTrueFather()->nr; | 
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| 131 | if ((AtomNo >= 0) && (AtomNo < count)) { | 
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| 132 | //*out << "Setting LookupTable[" << AtomNo << "] to " << *Walker << endl; | 
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| 133 | LookupTable[AtomNo] = Walker; | 
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| 134 | } else { | 
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| 135 | DoeLog(2) && (eLog() << Verbose(2) << "Walker " << *Walker << " exceeded range of nuclear ids [0, " << count << ")." << endl); | 
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| 136 | status = false; | 
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| 137 | break; | 
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| 138 | } | 
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| 139 | } | 
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| 140 | } | 
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| 141 |  | 
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| 142 | return status; | 
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| 143 | }; | 
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| 144 |  | 
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| 145 |  | 
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| 146 | /** Frees a two-dimensional array. | 
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| 147 | * \param *ptr pointer to array | 
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| 148 | * \param dim first dim of array | 
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| 149 | */ | 
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| 150 | template <typename X> void Free2DArray(X **ptr, int dim) | 
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| 151 | { | 
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| 152 | int i; | 
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| 153 | if (ptr != NULL) { | 
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| 154 | for(i=dim;i--;) | 
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| 155 | if (ptr[i] != NULL) | 
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| 156 | free(ptr[i]); | 
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| 157 | free(ptr); | 
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| 158 | } | 
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| 159 | }; | 
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| 160 |  | 
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| 161 | template <typename T> void Increment(T *value, T *inc) | 
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| 162 | { | 
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| 163 | *value += *inc; | 
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| 164 | }; | 
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| 165 |  | 
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| 166 | template <typename T> void AbsoluteValue(T *value, T *abs) | 
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| 167 | { | 
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| 168 | *value = *abs; | 
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| 169 | }; | 
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| 170 |  | 
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| 171 | template <typename T> void IncrementalAbsoluteValue(T *value, T *abs) | 
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| 172 | { | 
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| 173 | *value = *abs; | 
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| 174 | (*abs) += 1; | 
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| 175 | }; | 
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| 176 |  | 
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| 177 | #define PLURAL_S(v) (((v)==1)?"":"s") | 
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| 178 |  | 
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| 179 | // this is to allow different modes of access for | 
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| 180 | // maps and sets | 
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| 181 | template<typename Res,typename T> | 
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| 182 | struct _take{ | 
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| 183 | Res get(T value) const; | 
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| 184 | }; | 
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| 185 |  | 
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| 186 | // if we have a set,vector etc we can directly access the result | 
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| 187 | template<typename Res> | 
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| 188 | struct _take<Res,Res>{ | 
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| 189 | static inline Res get(Res value){ | 
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| 190 | return value; | 
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| 191 | } | 
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| 192 | }; | 
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| 193 |  | 
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| 194 | // if we have a map we have to access the second part of | 
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| 195 | // the pair | 
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| 196 | template<typename Res,typename T1> | 
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| 197 | struct _take<Res,std::pair<T1,Res> >{ | 
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| 198 | static inline Res get(std::pair<T1,Res> value){ | 
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| 199 | return value.second; | 
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| 200 | } | 
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| 201 | }; | 
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| 202 |  | 
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| 203 | /************ struct to contain simple enumerations ***************/ | 
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| 204 | template <class C> | 
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| 205 | struct enumeration{ | 
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| 206 | enumeration() : max(0) {} | 
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| 207 | enumeration(unsigned int i) : max(i) {} | 
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| 208 | enumeration(const enumeration &src) : | 
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| 209 | there(src.there), | 
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| 210 | back(src.back), | 
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| 211 | max(src.max) | 
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| 212 | {} | 
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| 213 | enumeration &operator=(const enumeration &src){ | 
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| 214 | /* no self-assignment check needed */ | 
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| 215 | there = src.there; | 
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| 216 | back = src.back; | 
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| 217 | max = src.max; | 
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| 218 | return *this; | 
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| 219 | } | 
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| 220 | void add(const C &value){ | 
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| 221 | if(!there.count(value)){ | 
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| 222 | there[value]=max; | 
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| 223 | back[max++]=value; | 
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| 224 | } | 
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| 225 | } | 
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| 226 | unsigned int getMax() const{ | 
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| 227 | return max; | 
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| 228 | } | 
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| 229 |  | 
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| 230 | map<C,unsigned int> there; | 
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| 231 | map<unsigned int,C> back; | 
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| 232 | private: | 
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| 233 | unsigned int max; | 
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| 234 | }; | 
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| 235 |  | 
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| 236 | /***** A counter to generate sequential numbers *******************/ | 
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| 237 | struct counter{ | 
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| 238 | inline counter() : count(0){}; | 
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| 239 | inline counter(int i) : count(i){}; | 
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| 240 | inline unsigned int operator()(){ | 
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| 241 | return count++; | 
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| 242 | } | 
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| 243 | private: | 
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| 244 | unsigned int count; | 
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| 245 | }; | 
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| 246 |  | 
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| 247 | template <class C,class ForwardIterator> | 
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| 248 | enumeration<C> enumerate(ForwardIterator first,ForwardIterator last){ | 
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| 249 | enumeration<C> res; | 
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| 250 | for_each(first,last,bind1st(mem_fun(&enumeration<C>::add),&res)); | 
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| 251 | return res; | 
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| 252 | } | 
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| 253 |  | 
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| 254 | #endif /*HELPERS_HPP_*/ | 
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