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38 #include "gromacs/topology/block.h"
40 #include "gromacs/utility/smalloc.h"
42 void init_block(t_block *block)
45 block->nalloc_index = 1;
46 snew(block->index, block->nalloc_index);
50 void init_blocka(t_blocka *block)
54 block->nalloc_index = 1;
55 snew(block->index, block->nalloc_index);
61 t_blocka *new_blocka(void)
66 snew(block->index, 1);
71 void done_block(t_block *block)
75 block->nalloc_index = 0;
78 void done_blocka(t_blocka *block)
86 block->nalloc_index = 0;
90 void stupid_fill_block(t_block *grp, int natom, gmx_bool bOneIndexGroup)
94 grp->nalloc_index = 2;
95 snew(grp->index, grp->nalloc_index);
97 grp->index[1] = natom;
102 grp->nalloc_index = natom+1;
103 snew(grp->index, grp->nalloc_index);
104 snew(grp->index, natom+1);
105 for (int i = 0; i <= natom; ++i)
113 void stupid_fill_blocka(t_blocka *grp, int natom)
115 grp->nalloc_a = natom;
116 snew(grp->a, grp->nalloc_a);
117 for (int i = 0; i < natom; ++i)
123 grp->nalloc_index = natom + 1;
124 snew(grp->index, grp->nalloc_index);
125 for (int i = 0; i <= natom; ++i)
132 void copy_blocka(const t_blocka *src, t_blocka *dest)
135 /* Workaround for inconsistent handling of nalloc_index in
136 * other parts of the code. Often nalloc_index and nalloc_a
139 dest->nalloc_index = std::max(src->nalloc_index, dest->nr + 1);
140 snew(dest->index, dest->nalloc_index);
141 for (int i = 0; i < dest->nr+1; ++i)
143 dest->index[i] = src->index[i];
145 dest->nra = src->nra;
147 dest->nalloc_a = std::max(src->nalloc_a, dest->nra);
148 snew(dest->a, dest->nalloc_a);
149 for (int i = 0; i < dest->nra; ++i)
151 dest->a[i] = src->a[i];