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- debug
author
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 13:07:40 +0000
(16:07 +0300)
committer
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 13:07:40 +0000
(16:07 +0300)
src/colorvec.cpp
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diff --git
a/src/colorvec.cpp
b/src/colorvec.cpp
index 924cf9ed01b224218e36ddb3a017b207a3df31b3..9bfef97f57416e5e2e0cc846c8795cf9c5a78d5b 100644
(file)
--- a/
src/colorvec.cpp
+++ b/
src/colorvec.cpp
@@
-199,7
+199,7
@@
bool isNearPeptide(const t_trxframe &fr, const t_pbc *pbc, const std::vector< gm
gmx::AnalysisNeighborhoodPair pair;
for (const auto &i : inputColor) {
gmx::AnalysisNeighborhoodPairSearch pairSearch = nbsearch.startPairSearch(inputFrame[i.second].as_vec());
gmx::AnalysisNeighborhoodPair pair;
for (const auto &i : inputColor) {
gmx::AnalysisNeighborhoodPairSearch pairSearch = nbsearch.startPairSearch(inputFrame[i.second].as_vec());
- std::cout << i.first << std::endl;
+ std::cout << i.first <<
" / " << inputColor.size() <<
std::endl;
int count1 {0};
while (pairSearch.findNextPair(&pair)) {
std::cout << ++count1 << std::endl;
int count1 {0};
while (pairSearch.findNextPair(&pair)) {
std::cout << ++count1 << std::endl;
@@
-213,7
+213,7
@@
bool isNearPeptide(const t_trxframe &fr, const t_pbc *pbc, const std::vector< gm
}
std::cout << std::endl;
}
}
std::cout << std::endl;
}
- std::cout <<
std::endl << i.first
<< std::endl << std::endl;
+ std::cout <<
"atom done"
<< std::endl << std::endl;
}
return false;
}
}
return false;
}