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simplify code for rigid body overlap checks

This commit is contained in:
Axel Kohlmeyer 2017-06-05 16:39:17 -04:00
parent 0034d2db35
commit 3a01836325
1 changed files with 7 additions and 23 deletions
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30
src/modify.cpp
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@ -1011,16 +1011,11 @@ int Modify::check_rigid_group_overlap(int groupbit)
int n = 0; int n = 0;
for (int ifix = 0; ifix < nfix; ifix++) { for (int ifix = 0; ifix < nfix; ifix++) {
if (strncmp("rigid",fix[ifix]->style,5) == 0) { if (strncmp("rigid",fix[ifix]->style,5) == 0) {
const int bothbits = groupbit | fix[ifix]->groupbit;
const int * const body = (const int *)fix[ifix]->extract("body",dim); const int * const body = (const int *)fix[ifix]->extract("body",dim);
if ((body == NULL) || (dim != 1)) break; if ((body == NULL) || (dim != 1)) break;
for (int i=0; i < nlocal; ++i) { for (int i=0; (i < nlocal) && (n == 0); ++i)
if (((mask[i] & bothbits) == bothbits) && (body[i] >= 0)) { if ((mask[i] & groupbit) && (body[i] >= 0)) ++n;
++n; break;
}
}
if (n > 0) break;
} }
} }
@ -1048,17 +1043,12 @@ int Modify::check_rigid_region_overlap(int groupbit, Region *reg)
reg->prematch(); reg->prematch();
for (int ifix = 0; ifix < nfix; ifix++) { for (int ifix = 0; ifix < nfix; ifix++) {
if (strncmp("rigid",fix[ifix]->style,5) == 0) { if (strncmp("rigid",fix[ifix]->style,5) == 0) {
const int bothbits = groupbit | fix[ifix]->groupbit;
const int * const body = (const int *)fix[ifix]->extract("body",dim); const int * const body = (const int *)fix[ifix]->extract("body",dim);
if ((body == NULL) || (dim != 1)) break; if ((body == NULL) || (dim != 1)) break;
for (int i=0; i < nlocal; ++i) for (int i=0; (i < nlocal) && (n == 0); ++i)
if (((mask[i] & bothbits) == bothbits) && (body[i] >= 0) if ((mask[i] & groupbit) && (body[i] >= 0)
&& reg->match(x[i][0],x[i][1],x[i][2])) { && reg->match(x[i][0],x[i][1],x[i][2])) ++n;
++n;
break;
}
if (n > 0) break;
} }
} }
@ -1084,17 +1074,11 @@ int Modify::check_rigid_list_overlap(int *select)
int n = 0; int n = 0;
for (int ifix = 0; ifix < nfix; ifix++) { for (int ifix = 0; ifix < nfix; ifix++) {
if (strncmp("rigid",fix[ifix]->style,5) == 0) { if (strncmp("rigid",fix[ifix]->style,5) == 0) {
const int groupbit = fix[ifix]->groupbit;
const int * const body = (const int *)fix[ifix]->extract("body",dim); const int * const body = (const int *)fix[ifix]->extract("body",dim);
if ((body == NULL) || (dim != 1)) break; if ((body == NULL) || (dim != 1)) break;
for (int i=0; i < nlocal; ++i) { for (int i=0; (i < nlocal) && (n == 0); ++i)
if ((mask[i] & groupbit) && (body[i] >= 0) && select[i]) { if ((body[i] >= 0) && select[i]) ++n;
++n;
break;
}
}
if (n > 0) break;
} }
} }