src/utils/Utility.hpp

#ifndef _UTILITY_H_
#define _UTILITY_H_
#include <vector>
#include <math.h>
#include "utils/next_combination.hpp"

namespace oopse {
inline double roundMe( double x ){
  return ( x >= 0 ) ? floor( x + 0.5 ) : ceil( x - 0.5 );
}

/**
 * @brief iteratively replace the sequence with wild cards
 * @return true if more combination sequence is avaliable, otherwise return true
 * @param cont iterator container, if expect the whole series of combinations,  pass an empty iterator 
 * container. The user should not modify this iterator container
 * @param sequence the whole sequence used to generate combination
 * @param result a possible combination sequence which is set on return
 * @param wildCard the wild card string. Its value is "X" by default
 * @note since next_combination never returns an empty sequence, replaceWildCard will not generate 
 * one special combination, which is n identical wild cards (n is equal to the size of the passing sequence)
 * 
 * @code
 * std::vector<std::string> sv;
 * std::vector<std::vector<std::string>::iterator> sic;
 * std::vector<std::string> resultString;
 * sv.push_back("H");
 * sv.push_back("C");
 * sv.push_back("N");

 * while (replaceWithWildCard(sic, sv, resultString)) {   
 *     for(std::vector<std::string>::iterator i = resultString.begin(); i != resultString.end(); ++i) {
 *         std::cout << *i << "\t";
 *     }
 *     std::cout << std::endl;
 * }
 * //output
 * //H X X
 * //X C X
 * //X X N
 * //H C X
 * //H X N
 * //X C N
 * //H C N
 * @endcode
 */
bool replaceWithWildCard(std::vector<std::vector<std::string>::iterator>& cont,
                                             std::vector<std::string>& sequence, std::vector<std::string>& result, const std::string& wildCard = "X");
}
#endif

Revision:	1854
Committed:	Sun Dec 5 22:02:42 2004 UTC (19 years, 6 months ago) by tim
File size:	1759 byte(s)
Log Message:	fix a bug in filling MolMembership
#	Content
1	#ifndef _UTILITY_H_
2	#define _UTILITY_H_
3	#include <vector>
4	#include <math.h>
5	#include "utils/next_combination.hpp"
6
7	namespace oopse {
8	inline double roundMe( double x ){
9	return ( x >= 0 ) ? floor( x + 0.5 ) : ceil( x - 0.5 );
10	}
11
12	/**
13	* @brief iteratively replace the sequence with wild cards
14	* @return true if more combination sequence is avaliable, otherwise return true
15	* @param cont iterator container, if expect the whole series of combinations, pass an empty iterator
16	* container. The user should not modify this iterator container
17	* @param sequence the whole sequence used to generate combination
18	* @param result a possible combination sequence which is set on return
19	* @param wildCard the wild card string. Its value is "X" by default
20	* @note since next_combination never returns an empty sequence, replaceWildCard will not generate
21	* one special combination, which is n identical wild cards (n is equal to the size of the passing sequence)
22	*
23	* @code
24	* std::vector<std::string> sv;
25	* std::vector<std::vector<std::string>::iterator> sic;
26	* std::vector<std::string> resultString;
27	* sv.push_back("H");
28	* sv.push_back("C");
29	* sv.push_back("N");
30
31	* while (replaceWithWildCard(sic, sv, resultString)) {
32	* for(std::vector<std::string>::iterator i = resultString.begin(); i != resultString.end(); ++i) {
33	* std::cout << *i << "\t";
34	* }
35	* std::cout << std::endl;
36	* }
37	* //output
38	* //H X X
39	* //X C X
40	* //X X N
41	* //H C X
42	* //H X N
43	* //X C N
44	* //H C N
45	* @endcode
46	*/
47	bool replaceWithWildCard(std::vector<std::vector<std::string>::iterator>& cont,
48	std::vector<std::string>& sequence, std::vector<std::string>& result, const std::string& wildCard = "X");
49	}
50	#endif
51