| 1 | /* | 
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| 2 | * Project: MoleCuilder | 
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| 3 | * Description: creates and alters molecular systems | 
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| 4 | * Copyright (C)  2010 University of Bonn. All rights reserved. | 
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| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. | 
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| 6 | */ | 
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| 7 |  | 
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| 8 | /** \file helpers.cpp | 
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| 9 | * | 
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| 10 | * Implementation of some auxiliary functions for memory dis-/allocation and so on | 
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| 11 | */ | 
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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 "CodePatterns/MemDebug.hpp" | 
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| 19 |  | 
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| 20 | #include "Helpers/helpers.hpp" | 
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| 21 | #include "Helpers/fast_functions.hpp" | 
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| 22 | #include "CodePatterns/Verbose.hpp" | 
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| 23 | #include "CodePatterns/Log.hpp" | 
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| 24 |  | 
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| 25 | #include <iostream> | 
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| 26 |  | 
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| 27 | /********************************************** helpful functions *********************************/ | 
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| 28 |  | 
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| 29 |  | 
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| 30 | /** Output of a debug message to stderr. | 
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| 31 | * \param *P Problem at hand, points to ParallelSimulationData#me | 
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| 32 | * \param output output string | 
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| 33 | */ | 
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| 34 | #ifdef HAVE_DEBUG | 
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| 35 | void debug_in(const char *output, const char *file, const int line) { | 
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| 36 | if (output) fprintf(stderr,"DEBUG: in %s at line %i: %s\n", file, line, output); | 
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| 37 | } | 
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| 38 | #else | 
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| 39 | void debug_in(const char *output, const char *file, const int line) {}  // print nothing | 
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| 40 | #endif | 
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| 41 |  | 
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| 42 |  | 
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| 43 | /** Returns a string with \a i prefixed with 0s to match order of total number of molecules in digits. | 
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| 44 | * \param FragmentNumber total number of fragments to determine necessary number of digits | 
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| 45 | * \param digits number to create with 0 prefixed | 
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| 46 | * \return allocated(!) char array with number in digits, ten base. | 
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| 47 | */ | 
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| 48 | char *FixedDigitNumber(const int FragmentNumber, const int digits) | 
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| 49 | { | 
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| 50 | char *returnstring; | 
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| 51 | int number = FragmentNumber; | 
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| 52 | int order = 0; | 
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| 53 | while (number != 0) { // determine number of digits needed | 
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| 54 | number = (int)floor(((double)number / 10.)); | 
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| 55 | order++; | 
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| 56 | //Log() << Verbose(0) << "Number is " << number << ", order is " << order << "." << endl; | 
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| 57 | } | 
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| 58 | // allocate string | 
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| 59 | returnstring = new char[order + 2]; | 
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| 60 | // terminate  and fill string array from end backward | 
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| 61 | returnstring[order] = '\0'; | 
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| 62 | number = digits; | 
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| 63 | for (int i=order;i--;) { | 
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| 64 | returnstring[i] = '0' + (char)(number % 10); | 
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| 65 | number = (int)floor(((double)number / 10.)); | 
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| 66 | } | 
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| 67 | //Log() << Verbose(0) << returnstring << endl; | 
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| 68 | return returnstring; | 
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| 69 | }; | 
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| 70 |  | 
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| 71 | /** | 
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| 72 | * Calls exit(255). | 
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| 73 | */ | 
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| 74 | void performCriticalExit() { | 
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| 75 | exit(255); | 
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| 76 | } | 
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| 77 |  | 
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| 78 | sign_t sign(double value){ | 
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| 79 | if(fabs(value)<MYEPSILON){ | 
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| 80 | return Zero; | 
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| 81 | } | 
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| 82 | if(value<0) | 
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| 83 | return Minus; | 
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| 84 | else | 
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| 85 | return Plus; | 
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| 86 | } | 
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