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- debug
author
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 12:11:04 +0000
(15:11 +0300)
committer
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 12:11:04 +0000
(15:11 +0300)
src/colorvec.cpp
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diff --git
a/src/colorvec.cpp
b/src/colorvec.cpp
index 459a66826966b107013adb25316847e67c38a110..5cb955a6548090332f8fc50e00c02d54bf69e704 100644
(file)
--- a/
src/colorvec.cpp
+++ b/
src/colorvec.cpp
@@
-196,6
+196,7
@@
bool isNearPeptide(const t_trxframe &fr, const t_pbc *pbc, const std::vector< gm
gmx::AnalysisNeighborhoodSearch nbsearch = nbhood.initSearch(pbc, gmx::AnalysisNeighborhoodPositions(fr.x, fr.natoms));
gmx::AnalysisNeighborhoodPair pair;
for (const auto &i : inputColor) {
+ std::cout << i.first << std::endl;
gmx::AnalysisNeighborhoodPairSearch pairSearch = nbsearch.startPairSearch(inputFrame[i.second].as_vec());
while (pairSearch.findNextPair(&pair)) {
for (const auto &j : inputIndex) {