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fixed a bug with only 1 selection (may be not)
author
Anatoly Titov
<toluk@omrb.pnpi.spb.ru>
Wed, 27 Sep 2017 11:20:00 +0000
(14:20 +0300)
committer
Anatoly Titov
<toluk@omrb.pnpi.spb.ru>
Wed, 27 Sep 2017 11:20:00 +0000
(14:20 +0300)
src/spacetimecorr.cpp
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diff --git
a/src/spacetimecorr.cpp
b/src/spacetimecorr.cpp
index c3f1ec00ec4670f1291dc3e2b6f63e29360b74b9..c5bea4d98a90bd2d3f393b2c9296abd51d08d25e 100644
(file)
--- a/
src/spacetimecorr.cpp
+++ b/
src/spacetimecorr.cpp
@@
-268,7
+268,10
@@
Domains::initAfterFirstFrame(const TrajectoryAnalysisSettings &settings,
trajectory.back()[i] = fr.x[index[i]];
}
domains.resize(sel_.size());
- for (int i = 1; i < sel_.size(); i++) {
+ for (int i = 0; i < sel_.size(); i++) {
+ if (sel_.size() == 1) {
+ continue;
+ }
atomind = sel_[i].atomIndices();
for (ConstArrayRef<int>::iterator ai = atomind.begin(); (ai < atomind.end()); ai++) {
domains[i].push_back(*ai);