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37 #include "gromacs/topology/block.h"
39 #include "gromacs/utility/smalloc.h"
41 void init_block(t_block *block)
44 block->nalloc_index = 1;
45 snew(block->index, block->nalloc_index);
49 void init_blocka(t_blocka *block)
53 block->nalloc_index = 1;
54 snew(block->index, block->nalloc_index);
60 t_blocka *new_blocka(void)
65 snew(block->index, 1);
70 void done_block(t_block *block)
74 block->nalloc_index = 0;
77 void done_blocka(t_blocka *block)
85 block->nalloc_index = 0;
89 void stupid_fill_block(t_block *grp, int natom, gmx_bool bOneIndexGroup)
93 grp->nalloc_index = 2;
94 snew(grp->index, grp->nalloc_index);
96 grp->index[1] = natom;
101 grp->nalloc_index = natom+1;
102 snew(grp->index, grp->nalloc_index);
103 snew(grp->index, natom+1);
104 for (int i = 0; i <= natom; ++i)
112 void stupid_fill_blocka(t_blocka *grp, int natom)
114 grp->nalloc_a = natom;
115 snew(grp->a, grp->nalloc_a);
116 for (int i = 0; i < natom; ++i)
122 grp->nalloc_index = natom + 1;
123 snew(grp->index, grp->nalloc_index);
124 for (int i = 0; i <= natom; ++i)
131 void copy_blocka(const t_blocka *src, t_blocka *dest)
134 dest->nalloc_index = dest->nr + 1;
135 snew(dest->index, dest->nalloc_index);
136 for (int i = 0; i < dest->nr+1; ++i)
138 dest->index[i] = src->index[i];
140 dest->nra = src->nra;
141 dest->nalloc_a = dest->nra + 1;
142 snew(dest->a, dest->nalloc_a);
143 for (int i = 0; i < dest->nra+1; ++i)
145 dest->a[i] = src->a[i];