| [bcf653] | 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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| [14de469] | 8 | /** \file helpers.cpp
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 | 9 |  *
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| [6ac7ee] | 10 |  * Implementation of some auxiliary functions for memory dis-/allocation and so on
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| [14de469] | 11 |  */
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 | 12 | 
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| [bf3817] | 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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| [ad011c] | 18 | #include "CodePatterns/MemDebug.hpp"
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| [14de469] | 19 | 
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| [952f38] | 20 | #include "Helpers/helpers.hpp"
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| [0a4f7f] | 21 | #include "Helpers/fast_functions.hpp"
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| [ad011c] | 22 | #include "CodePatterns/Verbose.hpp"
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 | 23 | #include "CodePatterns/Log.hpp"
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| [6cd79d] | 24 | 
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| [986ed3] | 25 | #include <iostream>
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 | 26 | 
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| [14de469] | 27 | /********************************************** helpful functions *********************************/
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 | 28 | 
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 | 29 | 
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| [d3a46d] | 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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| [042f82] | 36 |   if (output) fprintf(stderr,"DEBUG: in %s at line %i: %s\n", file, line, output);
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| [d3a46d] | 37 | }
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 | 38 | #else
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| [042f82] | 39 | void debug_in(const char *output, const char *file, const int line) {}  // print nothing
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| [d3a46d] | 40 | #endif
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| [14de469] | 41 | 
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| [5034e1] | 42 | 
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| [14de469] | 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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| [042f82] | 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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| [e138de] | 56 |     //Log() << Verbose(0) << "Number is " << number << ", order is " << order << "." << endl;
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| [042f82] | 57 |   }
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 | 58 |   // allocate string
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| [920c70] | 59 |   returnstring = new char[order + 2];
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| [042f82] | 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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| [e138de] | 67 |   //Log() << Verbose(0) << returnstring << endl;
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| [042f82] | 68 |   return returnstring;
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| [14de469] | 69 | };
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 | 70 | 
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| [21b9c3] | 71 | /**
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| [920c70] | 72 |  * Calls exit(255).
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| [21b9c3] | 73 |  */
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| [6cd79d] | 74 | void performCriticalExit() {
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| [21b9c3] | 75 |   exit(255);
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 | 76 | }
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| [f80e20] | 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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