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/RigidBodyStamp.hpp" |
48 |
+ |
namespace oopse { |
49 |
|
|
50 |
< |
char RigidBodyStamp::errMsg[500]; |
51 |
< |
|
10 |
< |
RigidBodyStamp::RigidBodyStamp(){ |
11 |
< |
|
12 |
< |
unhandled = NULL; |
13 |
< |
have_members = 0; |
14 |
< |
have_extras = 0; |
15 |
< |
n_members = 0; |
16 |
< |
which = 0; |
17 |
< |
|
50 |
> |
RigidBodyStamp::RigidBodyStamp(int index) : index_(index){ |
51 |
> |
deprecatedKeywords_.insert("nMembers"); |
52 |
|
} |
53 |
|
|
54 |
< |
RigidBodyStamp::~RigidBodyStamp(){ |
55 |
< |
int i; |
22 |
< |
|
23 |
< |
if( unhandled != NULL ) delete unhandled; |
24 |
< |
|
25 |
< |
free(members); |
26 |
< |
|
54 |
> |
void RigidBodyStamp::validate() { |
55 |
> |
DataHolder::validate(); |
56 |
|
} |
57 |
< |
|
29 |
< |
char* RigidBodyStamp::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 |
< |
|
36 |
< |
} |
37 |
< |
|
38 |
< |
char* RigidBodyStamp::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 |
< |
"RigidBodyStamp error, nMembers already declared" |
47 |
< |
" for this RigidBody.\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* RigidBodyStamp::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 |
< |
"RigidBodyStamp error, nMembers already declared for" |
70 |
< |
" this RigidBody.\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* RigidBodyStamp::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, "RigidBodyStamp error, %d out of nMembers range", |
92 |
< |
which ); |
93 |
< |
return strdup( errMsg ); |
94 |
< |
} |
95 |
< |
else return strdup("RigidBodyStamp error, nMembers not given before" |
96 |
< |
" member list declaration." ); |
97 |
< |
} |
98 |
< |
return NULL; |
99 |
< |
} |
100 |
< |
|
101 |
< |
char* RigidBodyStamp::checkMe( void ){ |
102 |
< |
|
103 |
< |
int i; |
104 |
< |
short int no_member; |
105 |
< |
|
106 |
< |
if( !have_members ){ |
107 |
< |
return strdup( "RigidBodyStamp error. RigidBody contains no members." ); |
108 |
< |
} |
109 |
< |
|
110 |
< |
if (which < n_members) { |
111 |
< |
sprintf( errMsg, |
112 |
< |
"RigidBodyStamp error. Not all of the members were" |
113 |
< |
" declared for this RigidBody."); |
114 |
< |
return strdup( errMsg ); |
115 |
< |
} |
116 |
< |
|
117 |
< |
return NULL; |
118 |
< |
|
119 |
< |
} |
57 |
> |
} |