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 <stdlib.h> |
43 |
|
#include <stdio.h> |
44 |
|
|
140 |
|
|
141 |
|
case ATOM_HEAD: |
142 |
|
if( the_namespc.type != MOLECULE_HEAD ){ |
143 |
< |
print_tree_error( the_node, |
143 |
> |
print_tree_error( the_node, |
144 |
|
"The atom block is not in a molecule namespace" ); |
145 |
|
} |
146 |
|
else{ |
396 |
|
|
397 |
|
case CONSTRAINT_STMT: |
398 |
|
sprintf( painCave.errMsg, |
399 |
< |
"Parse tree error: constraint node error => ( %lf )\n" |
400 |
< |
" -> %s\n", |
401 |
< |
err_node->the_data.cnstr.constraint_val, |
402 |
< |
err_msg ); |
399 |
> |
"Parse tree error: constraint node error => ( %lf )\n" |
400 |
> |
" -> %s\n", |
401 |
> |
err_node->the_data.cnstr.constraint_val, |
402 |
> |
err_msg ); |
403 |
|
break; |
404 |
|
|
405 |
|
case ASSIGNMENT_STMT: |
501 |
|
free( the_node->the_data.asmt.identifier ); |
502 |
|
break; |
503 |
|
|
504 |
+ |
case MEMBERS_STMT: |
505 |
+ |
|
506 |
+ |
if (the_node->the_data.mbrs.nMembers >0 ){ |
507 |
+ |
free(the_node->the_data.mbrs.memberList); |
508 |
+ |
} |
509 |
+ |
break; |
510 |
+ |
|
511 |
|
default: |
512 |
|
// nothing to do here, everyone else can be freed normally. |
513 |
|
break; |