analyzeTurnsAndHelicesPatterns();
analyzePPHelicesPatterns();
- for(std::size_t i {0}; i < ResInfoMap->size(); ++i){
- std::cout << (*ResInfoMap)[i].info->nr << " " << *((*ResInfoMap)[i].info->name) << std::endl;
- }
-
-// for(std::size_t i{0}; i < ResInfoMap->size(); ++i, std::cout << std::endl){
-// std::cout << (*ResInfoMap)[i].info->nr << *((*ResInfoMap)[i].info->name) ;
-// if ( (*ResInfoMap)[i].donor[0] != nullptr ){
-// std::cout << " has donor[0] = " << (*ResInfoMap)[i].donor[0]->nr << ((*ResInfoMap)[i].donor[0]->name) << " with E = " << (*ResInfoMap)[i].donorEnergy << " and" ;
-// }
-// else {
-// std::cout << " has no donor[0] and" ;
-// }
-// if ( (*ResInfoMap)[i].acceptor[0] != nullptr ){
-// std::cout << " has acceptor[0] = " << (*ResInfoMap)[i].acceptor[0]->nr << ((*ResInfoMap)[i].acceptor[0]->name) << " with E = " << (*ResInfoMap)[i].acceptorEnergy ;
-// }
-// else {
-// std::cout << " has no acceptor[0]" ;
-// }
+// for(std::size_t i {0}; i < ResInfoMap->size(); ++i){
+// std::cout << (*ResInfoMap)[i].info->nr << " " << *((*ResInfoMap)[i].info->name) << std::endl;
// }
+ for(std::size_t i{0}; i < ResInfoMap->size(); ++i, std::cout << std::endl){
+ std::cout << (*ResInfoMap)[i].info->nr << " " << *((*ResInfoMap)[i].info->name) ;
+ if ( (*ResInfoMap)[i].donor[0] != nullptr ){
+ std::cout << " has donor[0] = " << (*ResInfoMap)[i].donor[0]->nr << " " << ((*ResInfoMap)[i].donor[0]->name) << " with E = " << (*ResInfoMap)[i].donorEnergy << " and" ;
+ }
+ else {
+ std::cout << " has no donor[0] and" ;
+ }
+ if ( (*ResInfoMap)[i].acceptor[0] != nullptr ){
+ std::cout << " has acceptor[0] = " << (*ResInfoMap)[i].acceptor[0]->nr << " " << ((*ResInfoMap)[i].acceptor[0]->name) << " with E = " << (*ResInfoMap)[i].acceptorEnergy ;
+ }
+ else {
+ std::cout << " has no acceptor[0]" ;
+ }
+ }
+
/*Write Data*/
for(std::size_t i {0}; i < SecondaryStructuresStatusMap.size(); ++i){