| [14de469] | 1 | /** \file helpers.hpp
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 | 2 |  *
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| [6ac7ee] | 3 |  * Declaration of some auxiliary functions for memory dis-/allocation and so on
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| [14de469] | 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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| [f66195] | 11 | /*********************************************** includes ***********************************/
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 | 12 | 
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| [cd4ccc] | 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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| [14de469] | 18 | #include <fstream>
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 | 19 | 
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| [e4fe8d] | 20 | #include "Helpers/defs.hpp"
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| [952f38] | 21 | #include "Helpers/Log.hpp"
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| [6dea43] | 22 | 
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| [99593f] | 23 | /********************************************** definitions *********************************/
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 | 24 | 
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| [14de469] | 25 | /********************************************** helpful functions *********************************/
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 | 26 | 
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| [d3a46d] | 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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| [042f82] | 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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| [d3a46d] | 38 | extern void /*@exits@*/ debug(const char *output);
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| [042f82] | 39 |   //__attribute__ ((__return__));
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| [d3a46d] | 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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| [042f82] | 43 |     const char *file, const int line);
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 | 44 |   //__attribute__ ((__return__));
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| [d3a46d] | 45 | 
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| [f80e20] | 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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| [14de469] | 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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| [5034e1] | 55 | int CountLinesinFile(ifstream &InputFile);
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| [14de469] | 56 | char *FixedDigitNumber(const int FragmentNumber, const int digits);
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| [e198c7] | 57 | bool IsValidNumber( const char *string);
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| [f66195] | 58 | int CompareDoubles (const void * a, const void * b);
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| [6cd79d] | 59 | void performCriticalExit();
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| [f80e20] | 60 | sign_t sign(double value);
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| [14de469] | 61 | 
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| [6d35e4] | 62 | /********************************************** helpful template functions *********************************/
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 | 63 | 
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| [c144ed2] | 64 | 
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| [9dbea5] | 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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| [76102e] | 70 | template <typename T> T Max(T x, T y)
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| [9dbea5] | 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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| [76102e] | 82 | template <typename T> T Min(T x, T y)
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| [9dbea5] | 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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| [8f75a4] | 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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| [3c349b] | 93 |  * \param count optional predetermined size for table (otherwise we set the count to highest true father id)
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| [8f75a4] | 94 |  * \return true - success, false - failure
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 | 95 |  */
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| [e138de] | 96 | template <typename T> bool CreateFatherLookupTable(T *start, T *end, T **&LookupTable, int count = 0)
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| [8f75a4] | 97 | {
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| [042f82] | 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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| [0de7e8] | 103 |     DoeLog(0) && (eLog() << Verbose(0) << "Pointer for Lookup table is not NULL! Aborting ..." <<endl);
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| [042f82] | 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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| [0de7e8] | 116 |     DoeLog(1) && (eLog() << Verbose(1) << "Count of lookup list is 0 or less." << endl);
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| [042f82] | 117 |     return false;
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 | 118 |   }
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 | 119 | 
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| [7218f8] | 120 |   // allocate and fill
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| [920c70] | 121 |   LookupTable = new T*[count];
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| [042f82] | 122 |   if (LookupTable == NULL) {
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| [58ed4a] | 123 |     DoeLog(0) && (eLog()<< Verbose(0) << "LookupTable memory allocation failed!" << endl);
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| [e359a8] | 124 |     performCriticalExit();
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| [042f82] | 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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| [0de7e8] | 135 |         DoeLog(2) && (eLog() << Verbose(2) << "Walker " << *Walker << " exceeded range of nuclear ids [0, " << count << ")." << endl);
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| [042f82] | 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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| [8f75a4] | 143 | };
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 | 144 | 
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| [1024cb] | 145 | 
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| [6d35e4] | 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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| [042f82] | 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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| [6d35e4] | 159 | };
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| [14de469] | 160 | 
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| [5034e1] | 161 | template <typename T> void Increment(T *value, T *inc)
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| [e9f8f9] | 162 | {
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| [5034e1] | 163 |   *value += *inc;
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| [e9f8f9] | 164 | };
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 | 165 | 
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| [5034e1] | 166 | template <typename T> void AbsoluteValue(T *value, T *abs)
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| [e9f8f9] | 167 | {
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| [5034e1] | 168 |   *value = *abs;
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| [e9f8f9] | 169 | };
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 | 170 | 
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| [5034e1] | 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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| [14de469] | 176 | 
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| [7dad10] | 177 | #define PLURAL_S(v) (((v)==1)?"":"s")
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| [f66195] | 178 | 
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| [6e97e5] | 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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| [d9f51c] | 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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| [14de469] | 254 | #endif /*HELPERS_HPP_*/
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