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- debug
author
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 14:38:46 +0000
(17:38 +0300)
committer
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 14:38:46 +0000
(17:38 +0300)
src/colorvec.cpp
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diff --git
a/src/colorvec.cpp
b/src/colorvec.cpp
index fd9666d7ac429d7d87c3af7f6ab6862363292aba..586ae6abfd29ef440e33da00ed6c9336cd65ae6d 100644
(file)
--- a/
src/colorvec.cpp
+++ b/
src/colorvec.cpp
@@
-477,8
+477,8
@@
colorVec::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc, gmx::Trajecto
std::vector< gmx::RVec > trajectoryFrame;
trajectoryFrame.resize(0);
// считывания текущего фрейма траектории
- for (size_t i {0}; i <
index.size()
; ++i) {
- trajectoryFrame.push_back(fr.x[i
ndex[i]
]);
+ for (size_t i {0}; i <
fr.natoms
; ++i) {
+ trajectoryFrame.push_back(fr.x[i]);
}
std::cout << trajectoryFrame[0][0] << trajectoryFrame[0][1] << trajectoryFrame[0][2] << "\n";
// подсчёт углов в красках