// поиск угла между двумя RVec'ами
inline double RVecAngle(const gmx::RVec &a, const gmx::RVec &b) {
- return std::acos((a[0] * b[0] + a[1] * b[1] + a[2] * b[2]) / (a.norm() * b.norm()));
+ return std::acos((a[0] * b[0] + a[1] * b[1] + a[2] * b[2]) / (a.norm() * b.norm())) * 180.0 / 3.14159265;
}
// вычисление внутренних углов в краске
for (size_t j = 0; j < inputBLists.size(); ++j) {
for (size_t k = 0; k < inputBLists[j].size(); ++k) {
for (size_t m = 0; m < inputAminoacids[inputBLists[j][k]].size(); ++m) {
+ std::cout << inputFrame[inputAminoacids[inputBLists[j][k]][m]][0] << " " << inputFrame[inputAminoacids[inputBLists[j][k]][m]][1] << " " <<
+ inputFrame[inputAminoacids[inputBLists[j][k]][m]][2] << "\n";
if ((inputFrame[inputAminoacids[inputBLists[j][k]][m]] - inputFrame[inputColor[i].second]).norm() <= cutOff) {
outputList[j] = true;
std::cout << "yes";