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- debug
author
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 14:54:45 +0000
(17:54 +0300)
committer
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 14:54:45 +0000
(17:54 +0300)
src/colorvec.cpp
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diff --git
a/src/colorvec.cpp
b/src/colorvec.cpp
index 4da5c5b21d6f8d26f97520324bc97af0972ad378..d746dd4fe7728dcfc2eea2d5d94ff129ee9205a4 100644
(file)
--- a/
src/colorvec.cpp
+++ b/
src/colorvec.cpp
@@
-262,6
+262,7
@@
inline void searchNearBetaLists(const std::vector< gmx::RVec > &inputFrame, cons
const std::vector< std::vector< size_t > > &inputAminoacids, const double cutOff) {
outputList.resize(0);
outputList.resize(inputBLists.size(), false);
const std::vector< std::vector< size_t > > &inputAminoacids, const double cutOff) {
outputList.resize(0);
outputList.resize(inputBLists.size(), false);
+ std::cout << inputColor.size() << " " << inputBLists.size() << " " << inputAminoacids.size() << "\n";
for (size_t i {0}; i < inputColor.size(); ++i) {
for (size_t j = 0; j < inputBLists.size(); ++j) {
for (size_t k = 0; k < inputBLists[j].size(); ++k) {
for (size_t i {0}; i < inputColor.size(); ++i) {
for (size_t j = 0; j < inputBLists.size(); ++j) {
for (size_t k = 0; k < inputBLists[j].size(); ++k) {
@@
-498,7
+499,6
@@
colorVec::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc, gmx::Trajecto
betaListsRVecsEvaluation(trajectoryFrame, betaLists[frnr], betaListsRVecs, indexCA);
for (size_t i = 0; i < colorsToPeptide.size(); ++i) {
if (colorsToPeptide[i]) {
betaListsRVecsEvaluation(trajectoryFrame, betaLists[frnr], betaListsRVecs, indexCA);
for (size_t i = 0; i < colorsToPeptide.size(); ++i) {
if (colorsToPeptide[i]) {
- std::cout << "searching for beta-lists\n";
searchNearBetaLists(trajectoryFrame, betaLists[frnr], colorsNames[i], colorsToBeta[i], aminoacidsIndex, effRad * 9000);
}
}
searchNearBetaLists(trajectoryFrame, betaLists[frnr], colorsNames[i], colorsToBeta[i], aminoacidsIndex, effRad * 9000);
}
}