| 1 | /** \file helpers.cpp | 
|---|
| 2 | * | 
|---|
| 3 | * Implementation of some auxiliary functions for memory dis-/allocation and so on | 
|---|
| 4 | */ | 
|---|
| 5 |  | 
|---|
| 6 |  | 
|---|
| 7 | #include "helpers.hpp" | 
|---|
| 8 |  | 
|---|
| 9 | #include "memoryusageobserver.hpp" | 
|---|
| 10 |  | 
|---|
| 11 | /********************************************** helpful functions *********************************/ | 
|---|
| 12 |  | 
|---|
| 13 |  | 
|---|
| 14 | /** Asks for a double value and checks input | 
|---|
| 15 | * \param *text question | 
|---|
| 16 | */ | 
|---|
| 17 | double ask_value(const char *text) | 
|---|
| 18 | { | 
|---|
| 19 | double test = 0.1439851348959832147598734598273456723948652983045928346598365; | 
|---|
| 20 | do { | 
|---|
| 21 | cout << Verbose(0) << text; | 
|---|
| 22 | cin >> test; | 
|---|
| 23 | } while (test == 0.1439851348959832147598734598273456723948652983045928346598365); | 
|---|
| 24 | return test; | 
|---|
| 25 | }; | 
|---|
| 26 |  | 
|---|
| 27 | /** Output of a debug message to stderr. | 
|---|
| 28 | * \param *P Problem at hand, points to ParallelSimulationData#me | 
|---|
| 29 | * \param output output string | 
|---|
| 30 | */ | 
|---|
| 31 | #ifdef HAVE_DEBUG | 
|---|
| 32 | void debug_in(const char *output, const char *file, const int line) { | 
|---|
| 33 | if (output) fprintf(stderr,"DEBUG: in %s at line %i: %s\n", file, line, output); | 
|---|
| 34 | } | 
|---|
| 35 | #else | 
|---|
| 36 | void debug_in(const char *output, const char *file, const int line) {}  // print nothing | 
|---|
| 37 | #endif | 
|---|
| 38 |  | 
|---|
| 39 | /** modulo operator for doubles. | 
|---|
| 40 | * \param *b pointer to double | 
|---|
| 41 | * \param lower_bound lower bound | 
|---|
| 42 | * \param upper_bound upper bound | 
|---|
| 43 | */ | 
|---|
| 44 | void bound(double *b, double lower_bound, double upper_bound) | 
|---|
| 45 | { | 
|---|
| 46 | double step = (upper_bound - lower_bound); | 
|---|
| 47 | while (*b >= upper_bound) | 
|---|
| 48 | *b -= step; | 
|---|
| 49 | while (*b < lower_bound) | 
|---|
| 50 | *b += step; | 
|---|
| 51 | }; | 
|---|
| 52 |  | 
|---|
| 53 | /** Returns the power of \a n with respect to \a base. | 
|---|
| 54 | * \param base basis | 
|---|
| 55 | * \param n power | 
|---|
| 56 | * \return \f$base^n\f$ | 
|---|
| 57 | */ | 
|---|
| 58 | int pot(int base, int n) | 
|---|
| 59 | { | 
|---|
| 60 | int res = 1; | 
|---|
| 61 | int j; | 
|---|
| 62 | for (j=n;j--;) | 
|---|
| 63 | res *= base; | 
|---|
| 64 | return res; | 
|---|
| 65 | }; | 
|---|
| 66 |  | 
|---|
| 67 | /** Counts lines in file. | 
|---|
| 68 | * Note we are scanning lines from current position, not from beginning. | 
|---|
| 69 | * \param InputFile file to be scanned. | 
|---|
| 70 | */ | 
|---|
| 71 | int CountLinesinFile(ifstream &InputFile) | 
|---|
| 72 | { | 
|---|
| 73 | char *buffer = Malloc<char>(MAXSTRINGSIZE, "CountLinesinFile: *buffer"); | 
|---|
| 74 | int lines=0; | 
|---|
| 75 |  | 
|---|
| 76 | int PositionMarker = InputFile.tellg();  // not needed as Inputfile is copied, given by value, not by ref | 
|---|
| 77 | // count the number of lines, i.e. the number of fragments | 
|---|
| 78 | InputFile.getline(buffer, MAXSTRINGSIZE); // skip comment lines | 
|---|
| 79 | InputFile.getline(buffer, MAXSTRINGSIZE); | 
|---|
| 80 | while(!InputFile.eof()) { | 
|---|
| 81 | InputFile.getline(buffer, MAXSTRINGSIZE); | 
|---|
| 82 | lines++; | 
|---|
| 83 | } | 
|---|
| 84 | InputFile.seekg(PositionMarker, ios::beg); | 
|---|
| 85 | Free(&buffer); | 
|---|
| 86 | return lines; | 
|---|
| 87 | }; | 
|---|
| 88 |  | 
|---|
| 89 | /** Returns a string with \a i prefixed with 0s to match order of total number of molecules in digits. | 
|---|
| 90 | * \param FragmentNumber total number of fragments to determine necessary number of digits | 
|---|
| 91 | * \param digits number to create with 0 prefixed | 
|---|
| 92 | * \return allocated(!) char array with number in digits, ten base. | 
|---|
| 93 | */ | 
|---|
| 94 | char *FixedDigitNumber(const int FragmentNumber, const int digits) | 
|---|
| 95 | { | 
|---|
| 96 | char *returnstring; | 
|---|
| 97 | int number = FragmentNumber; | 
|---|
| 98 | int order = 0; | 
|---|
| 99 | while (number != 0) { // determine number of digits needed | 
|---|
| 100 | number = (int)floor(((double)number / 10.)); | 
|---|
| 101 | order++; | 
|---|
| 102 | //cout << "Number is " << number << ", order is " << order << "." << endl; | 
|---|
| 103 | } | 
|---|
| 104 | // allocate string | 
|---|
| 105 | returnstring = Malloc<char>(order + 2, "FixedDigitNumber: *returnstring"); | 
|---|
| 106 | // terminate  and fill string array from end backward | 
|---|
| 107 | returnstring[order] = '\0'; | 
|---|
| 108 | number = digits; | 
|---|
| 109 | for (int i=order;i--;) { | 
|---|
| 110 | returnstring[i] = '0' + (char)(number % 10); | 
|---|
| 111 | number = (int)floor(((double)number / 10.)); | 
|---|
| 112 | } | 
|---|
| 113 | //cout << returnstring << endl; | 
|---|
| 114 | return returnstring; | 
|---|
| 115 | }; | 
|---|
| 116 |  | 
|---|
| 117 | /** Tests whether a given string contains a valid number or not. | 
|---|
| 118 | * \param *string | 
|---|
| 119 | * \return true - is a number, false - is not a valid number | 
|---|
| 120 | */ | 
|---|
| 121 | bool IsValidNumber( const char *string) | 
|---|
| 122 | { | 
|---|
| 123 | int ptr = 0; | 
|---|
| 124 | if ((string[ptr] == '.') || (string[ptr] == '-')) // number may be negative or start with dot | 
|---|
| 125 | ptr++; | 
|---|
| 126 | if ((string[ptr] >= '0') && (string[ptr] <= '9')) | 
|---|
| 127 | return true; | 
|---|
| 128 | return false; | 
|---|
| 129 | }; | 
|---|
| 130 |  | 
|---|
| 131 | /** Blows the 6-dimensional \a cell_size array up to a full NDIM by NDIM matrix. | 
|---|
| 132 | * \param *symm 6-dim array of unique symmetric matrix components | 
|---|
| 133 | * \return allocated NDIM*NDIM array with the symmetric matrix | 
|---|
| 134 | */ | 
|---|
| 135 | double * ReturnFullMatrixforSymmetric(double *symm) | 
|---|
| 136 | { | 
|---|
| 137 | double *matrix = Malloc<double>(NDIM * NDIM, "molecule::ReturnFullMatrixforSymmetric: *matrix"); | 
|---|
| 138 | matrix[0] = symm[0]; | 
|---|
| 139 | matrix[1] = symm[1]; | 
|---|
| 140 | matrix[2] = symm[3]; | 
|---|
| 141 | matrix[3] = symm[1]; | 
|---|
| 142 | matrix[4] = symm[2]; | 
|---|
| 143 | matrix[5] = symm[4]; | 
|---|
| 144 | matrix[6] = symm[3]; | 
|---|
| 145 | matrix[7] = symm[4]; | 
|---|
| 146 | matrix[8] = symm[5]; | 
|---|
| 147 | return matrix; | 
|---|
| 148 | }; | 
|---|
| 149 |  | 
|---|
| 150 | /** Comparison function for GSL heapsort on distances in two molecules. | 
|---|
| 151 | * \param *a | 
|---|
| 152 | * \param *b | 
|---|
| 153 | * \return <0, \a *a less than \a *b, ==0 if equal, >0 \a *a greater than \a *b | 
|---|
| 154 | */ | 
|---|
| 155 | int CompareDoubles (const void * a, const void * b) | 
|---|
| 156 | { | 
|---|
| 157 | if (*(double *)a > *(double *)b) | 
|---|
| 158 | return -1; | 
|---|
| 159 | else if (*(double *)a < *(double *)b) | 
|---|
| 160 | return 1; | 
|---|
| 161 | else | 
|---|
| 162 | return 0; | 
|---|
| 163 | }; | 
|---|
| 164 |  | 
|---|
| 165 |  | 
|---|
| 166 | /** Allocates a memory range using malloc(). | 
|---|
| 167 | * Prints the provided error message in case of a failure. | 
|---|
| 168 | * | 
|---|
| 169 | * \param number of memory slices of type X to allocate | 
|---|
| 170 | * \param failure message which is printed if the allocation fails | 
|---|
| 171 | * \return pointer to the allocated memory range, will be NULL if a failure occurred | 
|---|
| 172 | */ | 
|---|
| 173 | template <> char* Malloc<char>(size_t size, const char* output) | 
|---|
| 174 | { | 
|---|
| 175 | char* buffer = NULL; | 
|---|
| 176 | buffer = (char*) malloc(sizeof(char) * (size + 1)); | 
|---|
| 177 | for (size_t i = size; i--;) | 
|---|
| 178 | buffer[i] = (i % 2 == 0) ? 'p': 'c'; | 
|---|
| 179 | buffer[size] = '\0'; | 
|---|
| 180 |  | 
|---|
| 181 | if (buffer != NULL) { | 
|---|
| 182 | MemoryUsageObserver::getInstance()->addMemory(buffer, size); | 
|---|
| 183 | } else { | 
|---|
| 184 | cout << Verbose(0) << "Malloc for datatype " << typeid(char).name() | 
|---|
| 185 | << " failed - pointer is NULL: " << output << endl; | 
|---|
| 186 | } | 
|---|
| 187 |  | 
|---|
| 188 | return buffer; | 
|---|
| 189 | }; | 
|---|
| 190 |  | 
|---|
| 191 | /** | 
|---|
| 192 | * Frees all memory registered by the memory observer and calls exit(225) afterwards. | 
|---|
| 193 | */ | 
|---|
| 194 | void performCriticalExit() { | 
|---|
| 195 | map<void*, size_t> pointers = MemoryUsageObserver::getInstance()->getPointersToAllocatedMemory(); | 
|---|
| 196 | for (map<void*, size_t>::iterator runner = pointers.begin(); runner != pointers.end(); runner++) { | 
|---|
| 197 | Free(((void**) &runner->first)); | 
|---|
| 198 | } | 
|---|
| 199 |  | 
|---|
| 200 | exit(255); | 
|---|
| 201 | } | 
|---|