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avoid out-of-range access if an angle/dihedral/improper type is set to 0

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This commit is contained in:
Axel Kohlmeyer
2023-05-02 17:30:23 -04:00
parent 36632e3356
commit 3e3ed89f33
1 changed files with 3 additions and 3 deletions
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6
src/compute_count_type.cpp
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@ -282,7 +282,7 @@ int ComputeCountType::count_angles()
if ((mask[j1] & groupbit) && (mask[j2] & groupbit) && (mask[j3] & groupbit)) { if ((mask[j1] & groupbit) && (mask[j2] & groupbit) && (mask[j3] & groupbit)) {
if (itype > 0) if (itype > 0)
count[itype - 1]++; count[itype - 1]++;
else else if (itype < 0)
count[-itype - 1]++; count[-itype - 1]++;
} }
} }
@ -334,7 +334,7 @@ int ComputeCountType::count_dihedrals()
(mask[j4] & groupbit)) { (mask[j4] & groupbit)) {
if (itype > 0) if (itype > 0)
count[itype - 1]++; count[itype - 1]++;
else else if (itype < 0)
count[-itype - 1]++; count[-itype - 1]++;
} }
} }
@ -386,7 +386,7 @@ int ComputeCountType::count_impropers()
(mask[j4] & groupbit)) { (mask[j4] & groupbit)) {
if (itype > 0) if (itype > 0)
count[itype - 1]++; count[itype - 1]++;
else else if (itype < 0)
count[-itype - 1]++; count[-itype - 1]++;
} }
} }