1 |
/* |
2 |
* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
3 |
* |
4 |
* The University of Notre Dame grants you ("Licensee") a |
5 |
* non-exclusive, royalty free, license to use, modify and |
6 |
* redistribute this software in source and binary code form, provided |
7 |
* that the following conditions are met: |
8 |
* |
9 |
* 1. Acknowledgement of the program authors must be made in any |
10 |
* publication of scientific results based in part on use of the |
11 |
* program. An acceptable form of acknowledgement is citation of |
12 |
* the article in which the program was described (Matthew |
13 |
* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
14 |
* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
15 |
* Parallel Simulation Engine for Molecular Dynamics," |
16 |
* J. Comput. Chem. 26, pp. 252-271 (2005)) |
17 |
* |
18 |
* 2. Redistributions of source code must retain the above copyright |
19 |
* notice, this list of conditions and the following disclaimer. |
20 |
* |
21 |
* 3. Redistributions in binary form must reproduce the above copyright |
22 |
* notice, this list of conditions and the following disclaimer in the |
23 |
* documentation and/or other materials provided with the |
24 |
* distribution. |
25 |
* |
26 |
* This software is provided "AS IS," without a warranty of any |
27 |
* kind. All express or implied conditions, representations and |
28 |
* warranties, including any implied warranty of merchantability, |
29 |
* fitness for a particular purpose or non-infringement, are hereby |
30 |
* excluded. The University of Notre Dame and its licensors shall not |
31 |
* be liable for any damages suffered by licensee as a result of |
32 |
* using, modifying or distributing the software or its |
33 |
* derivatives. In no event will the University of Notre Dame or its |
34 |
* licensors be liable for any lost revenue, profit or data, or for |
35 |
* direct, indirect, special, consequential, incidental or punitive |
36 |
* damages, however caused and regardless of the theory of liability, |
37 |
* arising out of the use of or inability to use software, even if the |
38 |
* University of Notre Dame has been advised of the possibility of |
39 |
* such damages. |
40 |
*/ |
41 |
|
42 |
#include <stdio.h> |
43 |
#include <string.h> |
44 |
|
45 |
#include "types/ZconStamp.hpp" |
46 |
|
47 |
|
48 |
ZconStamp::ZconStamp(int theIndex){ |
49 |
index = theIndex; |
50 |
|
51 |
have_zPos = 0; |
52 |
have_molIndex = 0; |
53 |
have_kRatio = 0; |
54 |
|
55 |
unhandled = NULL; |
56 |
have_extras = 0; |
57 |
} |
58 |
|
59 |
ZconStamp::~ZconStamp(){ |
60 |
|
61 |
if( unhandled != NULL ) delete unhandled; |
62 |
} |
63 |
|
64 |
char* ZconStamp::checkMe( void ){ |
65 |
char myErr[1000]; |
66 |
|
67 |
// if( !have_zPos ){ |
68 |
// sprintf( myErr, |
69 |
// "No zPos was given to the Zconstraint[%d].", |
70 |
// index ); |
71 |
// return strdup( myErr ); |
72 |
// } |
73 |
|
74 |
if( !have_molIndex ){ |
75 |
sprintf( myErr, |
76 |
"No Index was given to the Zconstraint[%d].", |
77 |
index ); |
78 |
return strdup( myErr ); |
79 |
} |
80 |
|
81 |
return NULL; |
82 |
} |
83 |
|
84 |
int ZconStamp::assignString( char* lhs, char* rhs, char** err ){ |
85 |
|
86 |
if( unhandled == NULL ){ |
87 |
unhandled = new LinkedAssign( lhs, rhs ); |
88 |
return 1; |
89 |
} |
90 |
else { |
91 |
unhandled->add( lhs, rhs ); |
92 |
have_extras = 1; |
93 |
return 1; |
94 |
} |
95 |
|
96 |
return 0; |
97 |
} |
98 |
|
99 |
int ZconStamp::assignDouble( char* lhs, double rhs, char** err ){ |
100 |
|
101 |
if( !strcasecmp( lhs, "zPos" )){ |
102 |
|
103 |
zPos = rhs; |
104 |
have_zPos = 1; |
105 |
return 1; |
106 |
} |
107 |
else if( !strcasecmp( lhs, "kRatio" ) ){ |
108 |
|
109 |
kRatio = rhs; |
110 |
have_kRatio = 1; |
111 |
return 1; |
112 |
} |
113 |
else if( !strcasecmp( lhs, "cantVel" )){ |
114 |
|
115 |
cantVel = (double)rhs; |
116 |
have_cantVel = 1; |
117 |
return 1; |
118 |
} |
119 |
else if( unhandled == NULL ){ |
120 |
unhandled = new LinkedAssign( lhs, rhs ); |
121 |
return 1; |
122 |
} |
123 |
else { |
124 |
unhandled->add( lhs, rhs ); |
125 |
have_extras = 1; |
126 |
return 1; |
127 |
} |
128 |
|
129 |
return 0; |
130 |
} |
131 |
|
132 |
int ZconStamp::assignInt( char* lhs, int rhs, char** err ){ |
133 |
|
134 |
if( !strcasecmp( lhs, "molIndex" ) ){ |
135 |
|
136 |
molIndex = rhs; |
137 |
have_molIndex = 1; |
138 |
return 1; |
139 |
} |
140 |
else if( !strcasecmp( lhs, "kRatio" ) ){ |
141 |
|
142 |
kRatio = (double)rhs; |
143 |
have_kRatio = 1; |
144 |
return 1; |
145 |
} |
146 |
else if( !strcasecmp( lhs, "zPos" )){ |
147 |
|
148 |
zPos = (double)rhs; |
149 |
have_zPos = 1; |
150 |
return 1; |
151 |
} |
152 |
else if( !strcasecmp( lhs, "cantVel" )){ |
153 |
|
154 |
cantVel = (double)rhs; |
155 |
have_cantVel = 1; |
156 |
return 1; |
157 |
} |
158 |
else if( unhandled == NULL ){ |
159 |
unhandled = new LinkedAssign( lhs, rhs ); |
160 |
return 1; |
161 |
} |
162 |
else { |
163 |
unhandled->add( lhs, rhs ); |
164 |
have_extras = 1; |
165 |
return 1; |
166 |
} |
167 |
return 0; |
168 |
} |