std::vector< std::vector< double > > colorsToBetaAngles;
colorsToBetaAngles.resize(0);
std::vector< gmx::RVec > betaListsRVecs;
- std::cout << "\n\ntest001\n";
betaListsRVecsEvaluation(trajectoryFrame, betaLists[frnr], betaListsRVecs, indexCA);
- std::cout << "\n\ntest002\n";
-
- std::cout << aminoacidsIndex.size();
-
-
for (size_t i = 0; i < colorsToPeptide.size(); ++i) {
if (colorsToPeptide[i]) {
searchNearBetaLists(trajectoryFrame, betaLists[frnr], colorsNames[i], colorsToBeta[i], aminoacidsIndex, effRad * 9000);
}
}
- std::cout << "\n\ntest003\n";
for (size_t i = 0; i < colorsToBeta.size(); ++i) {
for (size_t j = 0; j < colorsToBeta[i].size(); ++j) {
if (colorsToBeta[i][j]) {
}
}
}
- std::cout << "\n\ntest004\n";
// вывод в файл(ы) информацию для фрейма
anglesFileDump(frnr, fnOut, colorsToPeptide, colorFormation);
+ std::cout << std::endl << "frame number " << frnr;
}
void