biod.pnpi.spb.ru
/
alexxy
/
gromacs-colorvec.git
/ commitdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
| commitdiff |
tree
raw
|
patch
|
inline
| side by side (parent:
952955a
)
- debug
author
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 13:02:51 +0000
(16:02 +0300)
committer
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 13:02:51 +0000
(16:02 +0300)
src/colorvec.cpp
patch
|
blob
|
history
diff --git
a/src/colorvec.cpp
b/src/colorvec.cpp
index e6f1007efa4d38b806b30b5a3d720329c0c74799..9d6831bc8c8a052aac29e245ac808700376cd49c 100644
(file)
--- a/
src/colorvec.cpp
+++ b/
src/colorvec.cpp
@@
-199,10
+199,10
@@
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 <<
std::endl <<
i.first << std::endl;
+ std::cout << i.first << std::endl;
int count1 {0};
while (pairSearch.findNextPair(&pair)) {
int count1 {0};
while (pairSearch.findNextPair(&pair)) {
- std::cout <<
" " <<
++count1 << std::endl;
+ std::cout << ++count1 << std::endl;
for (const auto &j : inputIndex) {
if (j % 100 == 0) {
std::cout << " " << j;
for (const auto &j : inputIndex) {
if (j % 100 == 0) {
std::cout << " " << j;
@@
-212,7
+212,7
@@
bool isNearPeptide(const t_trxframe &fr, const t_pbc *pbc, const std::vector< gm
}
}
}
}
}
}
- std::cout << std::endl << i.first;
+ std::cout << std::endl << i.first
<< std::endl << std::endl
;
}
return false;
}
}
return false;
}