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37 /* This file is completely threadsafe - keep it that way! */
38 #include "gmxpre.h"
39
40 #include "invblock.h"
41
42 #include "gromacs/topology/block.h"
43 #include "gromacs/utility/fatalerror.h"
44 #include "gromacs/utility/smalloc.h"
45
make_invblock(const t_block * block,int nr)46 int* make_invblock(const t_block* block, int nr)
47 {
48 int i, j;
49 int* invblock;
50
51 snew(invblock, nr + 1);
52 /* Mark unused numbers */
53 for (i = 0; i <= nr; i++)
54 {
55 invblock[i] = -1;
56 }
57 for (i = 0; (i < block->nr); i++)
58 {
59 for (j = block->index[i]; (j < block->index[i + 1]); j++)
60 {
61 if (invblock[j] == -1)
62 {
63 invblock[j] = i;
64 }
65 else
66 {
67 gmx_fatal(FARGS,
68 "Double entries in block structure. Item %d is in blocks %d and %d\n"
69 " Cannot make an unambiguous inverse block.",
70 j, i, invblock[j]);
71 }
72 }
73 }
74 return invblock;
75 }
76
make_invblocka(const t_blocka * block,int nr)77 int* make_invblocka(const t_blocka* block, int nr)
78 {
79 int i, j;
80 int* invblock;
81
82 snew(invblock, nr + 1);
83 /* Mark unused numbers */
84 for (i = 0; i <= nr; i++)
85 {
86 invblock[i] = -1;
87 }
88 for (i = 0; (i < block->nr); i++)
89 {
90 for (j = block->index[i]; (j < block->index[i + 1]); j++)
91 {
92 if (invblock[block->a[j]] == -1)
93 {
94 invblock[block->a[j]] = i;
95 }
96 else
97 {
98 gmx_fatal(FARGS,
99 "Double entries in block structure. Item %d is in blocks %d and %d\n"
100 " Cannot make an unambiguous inverse block.",
101 j, i, invblock[block->a[j]]);
102 }
103 }
104 }
105 return invblock;
106 }
107