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root/group/trunk/FAS/src/fasbond.cpp
Revision: 88
Committed: Mon Aug 19 20:49:08 2002 UTC (22 years, 1 month ago) by tim
File size: 1647 byte(s)
Log Message:
*** empty log message ***

File Contents

# User Rev Content
1 tim 88 /**********************************************************************
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 #include <iostream>
21     #include <vector>
22     #include "fasbond.h"
23    
24     using namespace std;
25    
26     TFASBond::TFASBond()
27     {
28 tim 88 _index = 0;
29     }
30 tim 66
31 tim 88 TFASBond::TFASBond(int index)
32     {
33     _index = index;
34 tim 66 }
35    
36 tim 68 TFASBond::~TFASBond()
37 tim 66 {
38    
39     }
40    
41 tim 68 bool TFASBond::IsHydrogenBond()
42 tim 66 {
43    
44     }
45    
46     bool TFASBond::IsExteriorBond()
47     {
48    
49     }
50    
51     bool TFASBond::IsSingle()
52     {
53 tim 68 return _bondOrder == 1;
54 tim 66 }
55    
56     bool TFASBond::IsDouble()
57     {
58     return _bondOrder == 2;
59     }
60    
61     bool TFASBond::IsTriple()
62     {
63     return _bondOrder == 3;
64     }
65    
66     bool TFASBond::IsRotor()
67     {
68    
69     }
70    
71     bool TFASBond::IsAmide()
72     {
73    
74     }
75    
76     bool TFASBond::IsPrimaryAmide()
77     {
78    
79     }
80    
81     bool TFASBond::IsSecondaryAmide()
82     {
83    
84     }
85    
86     bool TFASBond::IsEster()
87     {
88    
89     }
90    
91 tim 68 bool TFASBond::IsCarbonyl()
92 tim 66 {
93    
94     }
95    
96     bool TFASBond::IsAromatic()
97     {
98    
99     }
100    
101 tim 68 float TFASBond::GetBondLength(int frameNum)
102 tim 66 {
103    
104     }