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root/group/trunk/FAS/src/fasbond.cpp
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Comparing trunk/FAS/src/fasbond.cpp (file contents):
Revision 66 by tim, Tue Aug 13 16:02:26 2002 UTC vs.
Revision 88 by tim, Mon Aug 19 20:49:08 2002 UTC

# Line 1 | Line 1
1 + /**********************************************************************
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   #include <iostream>
21   #include <vector>
22   #include "fasbond.h"
# Line 6 | Line 25 | TFASBond::TFASBond()
25  
26   TFASBond::TFASBond()
27   {
28 +  _index = 0;
29 + }
30  
31 + TFASBond::TFASBond(int index)
32 + {
33 +  _index = index;
34   }
35  
36 < TFASBond:~TFASBond()
36 > TFASBond::~TFASBond()
37   {
38  
39   }
40  
41 < bool TFASBond::ISHydrogenBond()
41 > bool TFASBond::IsHydrogenBond()
42   {
43  
44   }
# Line 26 | Line 50 | bool TFASBond::IsSingle()
50  
51   bool TFASBond::IsSingle()
52   {
53 <        return _bondorder == 1;
53 >        return _bondOrder == 1;
54   }
55  
56   bool TFASBond::IsDouble()
# Line 64 | Line 88 | bool TFASBond::IsEster()
88  
89   }
90  
91 < bool TFASBond::IsCarbony()
91 > bool TFASBond::IsCarbonyl()
92   {
93  
94   }
# Line 74 | Line 98 | bool TFASBond::IsAromatic()
98  
99   }
100  
101 < float TFASBond::GetBondLength()
101 > float TFASBond::GetBondLength(int frameNum)
102   {
103  
104   }

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