FAS/src/extradata.h

/**********************************************************************
*           Copyright (C) 2002-2003 by Gezelter's Group
*This program is free software; you can redistribute it and/or modify
*it under the terms of the GNU General Public License as published by
*the Free Software Foundation version 2 of the License.
*
*This program is distributed in the hope that it will be useful,
*but WITHOUT ANY WARRANTY; without even the implied warranty of
*MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
*GNU General Public License for more details.
*
************************************************************************
*Author: Teng Lin               Email:  tlin@nd.edu
*Date: 08/13/2002               Version: 1.0
*
************************************************************************
*Description:
*
***********************************************************************/
#ifndef EXTRADATA_H
#define EXTRADATA_H
#include <iostream>
#include <vector>
#include <map>


using namespace std;

// the advantage of using namespace over enum type is that you can
// add the new type as you want but make sure do not  have conflict value

namespace TExtraDataType
{
        const int UNKNOWN = 0;
        const int COMMENT = 1;
        const int ENERGY  = 2;
        const int FORCE   = 3;
  const int DISTANCE = 4;
        const int ANGLE   = 5;
  const int DIHE    = 6;
  const int IMPR    = 7;
  const int IC      = 8;
};


class TExtraData
{
        protected:
                  string _ident;
                  int _type;

        public:
                TExtraData();
                TExtraData(const TExtraData &extraData);
                TExtraData&     operator =(const TExtraData &extraData);
                virtual ~TExtraData()   {}

                string GetIdent()       {       return _ident;}
                int     GetType()       {       return _type;}

                void SetIdent(string ident)     {       _ident = ident;}
                void SetType(int type)  {       _type = type;}

};

class TExtraDataList :public vector<TExtraData *>
{
  public:
    void AddExtraData(TExtraData *extraData);
    void RemoveExtraData(TExtraData *extraData);
    TExtraData *GetExtraData(int type);
    TExtraData *GetExtraData(string indet);
};

class TMatchExtraData : public unary_function<TExtraData *, bool>
{
  private:
    string _ident;
    int _type;

    enum TMatchExtraType {meIdent, meType} _matchExtraType;
  public:
    TMatchExtraData(const string &ident) : _ident(ident){  _matchExtraType = meIdent;}
    TMatchExtraData(const int &type) : _type(type){  _matchExtraType = meType;}

    bool operator ()(const TExtraData & extraData) const
    {
      bool result;

      switch (_matchExtraType)
      {
        case meIdent:
          result = (_ident == extraData.GetIdent());
          return  result;
        case meType:
          result = (_type == extraData.GetType());
          return result;
        default:
        //Error
           ;
      }
    }

};

#endif
Revision:	88
Committed:	Mon Aug 19 20:49:08 2002 UTC (21 years, 10 months ago) by tim
Content type:	text/plain
File size:	2798 byte(s)
Log Message:	* empty log message *
#	User	Rev	Content
1	tim	83	/**********************************************************************
2			* Copyright (C) 2002-2003 by Gezelter's Group
3			*This program is free software; you can redistribute it and/or modify
4			*it under the terms of the GNU General Public License as published by
5			*the Free Software Foundation version 2 of the License.
6			*
7			*This program is distributed in the hope that it will be useful,
8			*but WITHOUT ANY WARRANTY; without even the implied warranty of
9			*MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
10			*GNU General Public License for more details.
11			*
12			************************************************************************
13			*Author: Teng Lin Email: tlin@nd.edu
14			*Date: 08/13/2002 Version: 1.0
15			*
16			************************************************************************
17			*Description:
18			*
19			***********************************************************************/
20	tim	66	#ifndef EXTRADATA_H
21			#define EXTRADATA_H
22			#include <iostream>
23	tim	83	#include <vector>
24	tim	66	#include <map>
25
26	tim	83
27	tim	88
28	tim	66	using namespace std;
29
30			// the advantage of using namespace over enum type is that you can
31			// add the new type as you want but make sure do not have conflict value
32	tim	83
33	tim	66	namespace TExtraDataType
34			{
35			const int UNKNOWN = 0;
36	tim	83	const int COMMENT = 1;
37			const int ENERGY = 2;
38			const int FORCE = 3;
39			const int DISTANCE = 4;
40			const int ANGLE = 5;
41			const int DIHE = 6;
42			const int IMPR = 7;
43			const int IC = 8;
44	tim	66	};
45
46
47	tim	83
48			class TExtraData
49			{
50			protected:
51	tim	88	string _ident;
52			int _type;
53
54	tim	83	public:
55			TExtraData();
56			TExtraData(const TExtraData &extraData);
57			TExtraData& operator =(const TExtraData &extraData);
58			virtual ~TExtraData() {}
59
60			string GetIdent() { return _ident;}
61			int GetType() { return _type;}
62
63			void SetIdent(string ident) { _ident = ident;}
64			void SetType(int type) { _type = type;}
65	tim	88
66	tim	83	};
67
68	tim	88	class TExtraDataList :public vector<TExtraData *>
69	tim	83	{
70			public:
71			void AddExtraData(TExtraData *extraData);
72			void RemoveExtraData(TExtraData *extraData);
73	tim	88	TExtraData *GetExtraData(int type);
74			TExtraData *GetExtraData(string indet);
75	tim	83	};
76
77	tim	88	class TMatchExtraData : public unary_function<TExtraData *, bool>
78	tim	83	{
79			private:
80	tim	88	string _ident;
81	tim	83	int _type;
82
83	tim	88	enum TMatchExtraType {meIdent, meType} _matchExtraType;
84	tim	83	public:
85	tim	88	TMatchExtraData(const string &ident) : _ident(ident){ _matchExtraType = meIdent;}
86	tim	83	TMatchExtraData(const int &type) : _type(type){ _matchExtraType = meType;}
87
88			bool operator ()(const TExtraData & extraData) const
89			{
90	tim	88	bool result;
91
92	tim	83	switch (_matchExtraType)
93			{
94	tim	88	case meIdent:
95			result = (_ident == extraData.GetIdent());
96			return result;
97			case meType:
98			result = (_type == extraData.GetType());
99			return result;
100	tim	83	default:
101			//Error
102			;
103			}
104			}
105
106			};
107
108	tim	66	#endif