Make sure that calling createExclusionsFromBonds() with bondCutoff=0 never adds exclusions

b369cadf · peastman · 00553a53 · b369cadf
Commit b369cadf authored Jun 10, 2014 by peastman
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openmmapi/src/CustomNonbondedForce.cpp openmmapi/src/CustomNonbondedForce.cpp +2 -0

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--- a/openmmapi/src/CustomNonbondedForce.cpp
+++ b/openmmapi/src/CustomNonbondedForce.cpp
@@ -176,6 +176,8 @@ void CustomNonbondedForce::setExclusionParticles(int index, int particle1, int p
 }

 void CustomNonbondedForce::createExclusionsFromBonds(const vector<pair<int, int> >& bonds, int bondCutoff) {
+    if (bondCutoff < 1)
+        return;
    vector<set<int> > exclusions(particles.size());
    vector<set<int> > bonded12(exclusions.size());
    for (int i = 0; i < (int) bonds.size(); ++i) {