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37 /* This file is completely threadsafe - keep it that way! */
42 #include "gromacs/topology/block.h"
43 #include "gromacs/utility/fatalerror.h"
44 #include "gromacs/utility/smalloc.h"
46 int* make_invblock(const t_block* block, int nr)
51 snew(invblock, nr + 1);
52 /* Mark unused numbers */
53 for (i = 0; i <= nr; i++)
57 for (i = 0; (i < block->nr); i++)
59 for (j = block->index[i]; (j < block->index[i + 1]); j++)
61 if (invblock[j] == -1)
68 "Double entries in block structure. Item %d is in blocks %d and %d\n"
69 " Cannot make an unambiguous inverse block.",
79 int* make_invblocka(const t_blocka* block, int nr)
84 snew(invblock, nr + 1);
85 /* Mark unused numbers */
86 for (i = 0; i <= nr; i++)
90 for (i = 0; (i < block->nr); i++)
92 for (j = block->index[i]; (j < block->index[i + 1]); j++)
94 if (invblock[block->a[j]] == -1)
96 invblock[block->a[j]] = i;
101 "Double entries in block structure. Item %d is in blocks %d and %d\n"
102 " Cannot make an unambiguous inverse block.",
105 invblock[block->a[j]]);