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Comparing trunk/OOPSE-3.0/src/types/CutoffGroupStamp.cpp (file contents):
Revision 1492 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
Revision 2469 by tim, Fri Dec 2 15:38:03 2005 UTC

# Line 1 | Line 1
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   #include <string.h>
45   #include <iostream>
46  
47   #include "types/CutoffGroupStamp.hpp"
48 <
49 < char CutoffGroupStamp::errMsg[500];
50 <
10 < CutoffGroupStamp::CutoffGroupStamp(){
11 <  
12 <  unhandled = NULL;
13 <  have_members = 0;
14 <  have_extras = 0;
15 <  n_members = 0;
16 <  which = 0;
17 <
48 > namespace oopse {
49 > CutoffGroupStamp::CutoffGroupStamp() {
50 >    deprecatedKeywords_.insert("nMembers");  
51   }
52  
53 < CutoffGroupStamp::~CutoffGroupStamp(){
54 <  int i;
22 <  
23 <  if( unhandled != NULL ) delete unhandled;
24 <  
25 <  free(members);
26 <
53 > void CutoffGroupStamp::validate() {
54 >    DataHolder::validate();
55   }
28 –
29 – char* CutoffGroupStamp::assignString( char* lhs, char* rhs ){
30 –
31 –  if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
32 –  else unhandled->add( lhs, rhs );
33 –  have_extras = 1;
34 –  return NULL;
35 –
56   }
37 –
38 – char* CutoffGroupStamp::assignDouble( char* lhs, double rhs ){
39 –  int i;
40 –
41 –  if( !strcmp( lhs, "nMembers" ) ){
42 –    n_members = (int)rhs;
43 –    
44 –    if( have_members ){
45 –      sprintf( errMsg,
46 –               "CutoffGroupStamp error, nMembers already declared"
47 –               " for this CutoffGroup.\n");
48 –      return strdup( errMsg );
49 –    }
50 –    have_members = 1;
51 –    members = (int *) calloc(n_members, sizeof(int));    
52 –  }
53 –  else {
54 –    if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
55 –    else unhandled->add( lhs, rhs );
56 –    have_extras = 1;
57 –  }
58 –  return NULL;
59 – }
60 –
61 – char* CutoffGroupStamp::assignInt( char* lhs, int rhs ){
62 –  int i;
63 –
64 –  if( !strcmp( lhs, "nMembers" ) ){
65 –    n_members = rhs;
66 –
67 –    if( have_members ){
68 –      sprintf( errMsg,
69 –               "CutoffGroupStamp error, nMembers already declared for"
70 –               " this CutoffGroup.\n");
71 –      return strdup( errMsg );
72 –    }
73 –    have_members = 1;
74 –    members = (int *) calloc(n_members, sizeof(int));    
75 –  }
76 –  else {  
77 –    if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
78 –    else unhandled->add( lhs, rhs );
79 –    have_extras = 1;
80 –  }
81 –  return NULL;
82 – }
83 –
84 – char* CutoffGroupStamp::addMember( int atomIndex ){
85 –
86 –  if( have_members && which < n_members ) {
87 –    members[which] = atomIndex;
88 –    which++;
89 –  } else {
90 –    if( have_members ){
91 –      sprintf( errMsg, "CutoffGroupStamp error, %d out of nMembers range",
92 –               which );
93 –      return strdup( errMsg );
94 –    }
95 –    else return strdup("CutoffGroupStamp error, nMembers not given before"
96 –                       " member list declaration." );
97 –  }
98 –  return NULL;
99 – }
100 –
101 – char* CutoffGroupStamp::checkMe( void ){
102 –
103 –  int i;
104 –  short int no_member;
105 –  
106 –  if( !have_members ){
107 –    return strdup( "CutoffGroupStamp error. CutoffGroup contains no members." );
108 –  }
109 –
110 –  if (which < n_members) {
111 –    sprintf( errMsg,
112 –             "CutoffGroupStamp error. Not all of the members were"
113 –             " declared for this CutoffGroup.");
114 –    return strdup( errMsg );
115 –  }
116 –  
117 –  return NULL;
118 –  
119 – }

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