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root/OpenMD/trunk/src/utils/Utility.hpp
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Comparing trunk/src/utils/Utility.hpp (file contents):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 43 | Line 43
43   #define UTILS_UTILITY_HPP
44   #include <vector>
45   #include <math.h>
46 + #include "config.h"
47   #include "utils/next_combination.hpp"
48  
49   namespace oopse {
50 < inline double roundMe( double x ){
51 <  return ( x >= 0 ) ? floor( x + 0.5 ) : ceil( x - 0.5 );
52 < }
50 >  inline RealType roundMe( RealType x ){
51 >    return ( x >= 0 ) ? floor( x + 0.5 ) : ceil( x - 0.5 );
52 >  }
53  
54 < /**
55 < * @brief iteratively replace the sequence with wild cards
56 < * @return true if more combination sequence is avaliable, otherwise return true
57 < * @param cont iterator container, if expect the whole series of combinations,  pass an empty iterator
58 < * container. The user should not modify this iterator container
59 < * @param sequence the whole sequence used to generate combination
60 < * @param result a possible combination sequence which is set on return
61 < * @param wildCard the wild card string. Its value is "X" by default
62 < * @note since next_combination never returns an empty sequence, replaceWildCard will not generate
63 < * one special combination, which is n identical wild cards (n is equal to the size of the passing sequence)
64 < *
65 < * @code
66 < * std::vector<std::string> sv;
67 < * std::vector<std::vector<std::string>::iterator> sic;
68 < * std::vector<std::string> resultString;
69 < * sv.push_back("H");
70 < * sv.push_back("C");
71 < * sv.push_back("N");
54 >  /**
55 >   * @brief iteratively replace the sequence with wild cards
56 >   * @return true if more combination sequence is avaliable, otherwise return true
57 >   * @param cont iterator container, if expect the whole series of combinations,  pass an empty iterator
58 >   * container. The user should not modify this iterator container
59 >   * @param sequence the whole sequence used to generate combination
60 >   * @param result a possible combination sequence which is set on return
61 >   * @param wildCard the wild card string. Its value is "X" by default
62 >   * @note since next_combination never returns an empty sequence, replaceWildCard will not generate
63 >   * one special combination, which is n identical wild cards (n is equal to the size of the passing sequence)
64 >   *
65 >   * @code
66 >   * std::vector<std::string> sv;
67 >   * std::vector<std::vector<std::string>::iterator> sic;
68 >   * std::vector<std::string> resultString;
69 >   * sv.push_back("H");
70 >   * sv.push_back("C");
71 >   * sv.push_back("N");
72  
73 < * while (replaceWithWildCard(sic, sv, resultString)) {  
74 < *     for(std::vector<std::string>::iterator i = resultString.begin(); i != resultString.end(); ++i) {
75 < *         std::cout << *i << "\t";
76 < *     }
77 < *     std::cout << std::endl;
78 < * }
79 < * //output
80 < * //H X X
81 < * //X C X
82 < * //X X N
83 < * //H C X
84 < * //H X N
85 < * //X C N
86 < * //H C N
87 < * @endcode
88 < */
89 < bool replaceWithWildCard(std::vector<std::vector<std::string>::iterator>& cont,
90 <                                             std::vector<std::string>& sequence, std::vector<std::string>& result, const std::string& wildCard = "X");
73 >   * while (replaceWithWildCard(sic, sv, resultString)) {  
74 >   *     for(std::vector<std::string>::iterator i = resultString.begin(); i != resultString.end(); ++i) {
75 >   *         std::cout << *i << "\t";
76 >   *     }
77 >   *     std::cout << std::endl;
78 >   * }
79 >   * //output
80 >   * //H X X
81 >   * //X C X
82 >   * //X X N
83 >   * //H C X
84 >   * //H X N
85 >   * //X C N
86 >   * //H C N
87 >   * @endcode
88 >   */
89 >  bool replaceWithWildCard(std::vector<std::vector<std::string>::iterator>& cont,
90 >                           std::vector<std::string>& sequence, std::vector<std::string>& result, const std::string& wildCard = "X");
91   }
92   #endif
93  

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