# | Line 1 | Line 1 | |
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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 <stdlib.h> | |
44 | #include <string.h> | |
45 | ||
46 | < | #include "node_list.h" |
47 | < | #include "make_nodes.h" |
48 | < | #include "simError.h" |
46 | > | #include "io/node_list.h" |
47 | > | #include "io/make_nodes.h" |
48 | > | #include "utils/simError.h" |
49 | ||
50 | /* | |
51 | walks to to the top of a stmt_list. Needed when assigning the | |
# | Line 116 | Line 157 | struct node_tag* members( char* list_str ){ | |
157 | the_node->the_data.mbrs.memberList[i] = atoi( foo ); | |
158 | } | |
159 | ||
160 | + | free(list_str); |
161 | return the_node; | |
162 | } | |
163 | ||
# | Line 145 | Line 187 | struct node_tag* constraint( char* list_str ){ | |
187 | foo = strtok(list_str, " ,;\t"); | |
188 | the_node->the_data.cnstr.constraint_val = atof( foo ); | |
189 | ||
190 | + | free(list_str); |
191 | return the_node; | |
192 | } | |
193 | ||
# | Line 180 | Line 223 | struct node_tag* orientation( char* list_str ){ | |
223 | foo = strtok(NULL, " ,;\t"); | |
224 | the_node->the_data.ort.psi = atof( foo ); | |
225 | ||
226 | + | free(list_str); |
227 | return the_node; | |
228 | } | |
229 | ||
# | Line 215 | Line 259 | struct node_tag* position( char* list_str ){ | |
259 | foo = strtok(NULL, " ,;\t"); | |
260 | the_node->the_data.pos.z = atof( foo ); | |
261 | ||
262 | < | |
262 | > | free(list_str); |
263 | return the_node; | |
264 | } | |
265 | ||
# | Line 257 | Line 301 | struct node_tag* cutoffgroup_blk( int index, struct no | |
301 | struct node_tag* the_node; | |
302 | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | |
303 | ||
304 | < | // The guillotine statement: |
304 | > | /* The guillotine statement:*/ |
305 | the_node->type = CUTOFFGROUP_HEAD; | |
306 | the_node->index = index; | |
307 | the_node->next_stmt = NULL; | |
# | Line 353 | Line 397 | int count_tokens(char *line, char *delimiters) { | |
397 | ||
398 | ||
399 | int count_tokens(char *line, char *delimiters) { | |
400 | < | /* PURPOSE: RETURN A COUNT OF THE NUMBER OF TOKENS ON THE LINE. */ |
400 | > | /* PURPOSE: RETURN A COUNT OF THE NUMBER OF TOKENS ON THE LINE. */ |
401 | ||
402 | char *working_line; /* WORKING COPY OF LINE. */ | |
403 | int ntokens; /* NUMBER OF TOKENS FOUND IN LINE. */ |
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