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43 #include "gromacs/utility/smalloc.h"
45 void init_block(t_block
*block
)
48 block
->nalloc_index
= 1;
49 snew(block
->index
, block
->nalloc_index
);
53 void init_blocka(t_blocka
*block
)
57 block
->nalloc_index
= 1;
58 snew(block
->index
, block
->nalloc_index
);
64 t_blocka
*new_blocka(void)
69 snew(block
->index
, 1);
74 void done_block(t_block
*block
)
78 block
->nalloc_index
= 0;
81 void done_blocka(t_blocka
*block
)
89 block
->nalloc_index
= 0;
93 void stupid_fill_block(t_block
*grp
, int natom
, gmx_bool bOneIndexGroup
)
97 grp
->nalloc_index
= 2;
98 snew(grp
->index
, grp
->nalloc_index
);
100 grp
->index
[1] = natom
;
105 grp
->nalloc_index
= natom
+1;
106 snew(grp
->index
, grp
->nalloc_index
);
107 snew(grp
->index
, natom
+1);
108 for (int i
= 0; i
<= natom
; ++i
)
116 void stupid_fill_blocka(t_blocka
*grp
, int natom
)
118 grp
->nalloc_a
= natom
;
119 snew(grp
->a
, grp
->nalloc_a
);
120 for (int i
= 0; i
< natom
; ++i
)
126 grp
->nalloc_index
= natom
+ 1;
127 snew(grp
->index
, grp
->nalloc_index
);
128 for (int i
= 0; i
<= natom
; ++i
)
135 void copy_blocka(const t_blocka
*src
, t_blocka
*dest
)
138 /* Workaround for inconsistent handling of nalloc_index in
139 * other parts of the code. Often nalloc_index and nalloc_a
142 dest
->nalloc_index
= std::max(src
->nalloc_index
, dest
->nr
+ 1);
143 snew(dest
->index
, dest
->nalloc_index
);
144 for (int i
= 0; i
< dest
->nr
+1; ++i
)
146 dest
->index
[i
] = src
->index
[i
];
148 dest
->nra
= src
->nra
;
150 dest
->nalloc_a
= std::max(src
->nalloc_a
, dest
->nra
);
151 snew(dest
->a
, dest
->nalloc_a
);
152 for (int i
= 0; i
< dest
->nra
; ++i
)
154 dest
->a
[i
] = src
->a
[i
];