sdasdsaddsd

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 8450cd9968d9089a1f312c9d93860cb29c20b6d3..0a9640c82ee05a436a6b286e2029274425cc1cad 100644 (file)
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -123,16 +123,17 @@ bool secondaryStructures::hasHBondBetween(std::size_t Donor, std::size_t Accepto
     }
     else {
 
-        std::cout << "Comparing DONOR " << Donor << " And ACCEPTOR " << Acceptor << " :" << std::endl;
-        std::cout << "DONOR's acceptors' nr are = " << (*ResInfoMap)[Donor].acceptor[0]->nr << ", " << (*ResInfoMap)[Donor].acceptor[1]->nr << " And ACCEPTOR's nr = " << (*ResInfoMap)[Acceptor].info->nr << std::endl;
-        std::cout << "DONOR's acceptors' chainID are = " << (*ResInfoMap)[Donor].acceptor[0]->chainid << ", " << (*ResInfoMap)[Donor].acceptor[1]->chainid << " And ACCEPTOR's chainID = " << (*ResInfoMap)[Acceptor].info->chainid << std::endl;
+        std::cout << "Comparing DONOR " << Donor << " And ACCEPTOR " << Acceptor << " :";
+        std::cout << "DONOR's acceptor adresses are " << (*ResInfoMap)[Donor].acceptor[0] << ", " << (*ResInfoMap)[Donor].acceptor[1] << " and ACCEPTOR adress is " << (*ResInfoMap)[Acceptor].info << std::endl;
+//        std::cout << "DONOR's acceptors' nr are = " << (*ResInfoMap)[Donor].acceptor[0]->nr << ", " << (*ResInfoMap)[Donor].acceptor[1]->nr << " And ACCEPTOR's nr = " << (*ResInfoMap)[Acceptor].info->nr << std::endl;
+//        std::cout << "DONOR's acceptors' chainID are = " << (*ResInfoMap)[Donor].acceptor[0]->chainid << ", " << (*ResInfoMap)[Donor].acceptor[1]->chainid << " And ACCEPTOR's chainID = " << (*ResInfoMap)[Acceptor].info->chainid << std::endl;
 
-        if( ( ( (*ResInfoMap)[Donor].acceptor[0]->nr == (*ResInfoMap)[Acceptor].info->nr && (*ResInfoMap)[Donor].acceptor[0]->chainid == (*ResInfoMap)[Acceptor].info->chainid ) && (*ResInfoMap)[Donor].acceptorEnergy[0] < HBondEnergyCutOff ) ||
-                ( ( (*ResInfoMap)[Donor].acceptor[1]->nr == (*ResInfoMap)[Acceptor].info->nr && (*ResInfoMap)[Donor].acceptor[1]->chainid == (*ResInfoMap)[Acceptor].info->chainid ) && (*ResInfoMap)[Donor].acceptorEnergy[1] < HBondEnergyCutOff ) ){
+        if( ( (*ResInfoMap)[Donor].acceptor[0] == (*ResInfoMap)[Acceptor].info && (*ResInfoMap)[Donor].acceptorEnergy[0] < HBondEnergyCutOff ) ||
+                ( (*ResInfoMap)[Donor].acceptor[1] == (*ResInfoMap)[Acceptor].info && (*ResInfoMap)[Donor].acceptorEnergy[1] < HBondEnergyCutOff ) ){
             std::cout << "HBond Exist" << std::endl;
         }
-        return ( ( (*ResInfoMap)[Donor].acceptor[0]->nr == (*ResInfoMap)[Acceptor].info->nr && (*ResInfoMap)[Donor].acceptor[0]->chainid == (*ResInfoMap)[Acceptor].info->chainid ) && (*ResInfoMap)[Donor].acceptorEnergy[0] < HBondEnergyCutOff ) ||
-                ( ( (*ResInfoMap)[Donor].acceptor[1]->nr == (*ResInfoMap)[Acceptor].info->nr && (*ResInfoMap)[Donor].acceptor[1]->chainid == (*ResInfoMap)[Acceptor].info->chainid ) && (*ResInfoMap)[Donor].acceptorEnergy[1] < HBondEnergyCutOff );
+        return ( (*ResInfoMap)[Donor].acceptor[0] == (*ResInfoMap)[Acceptor].info && (*ResInfoMap)[Donor].acceptorEnergy[0] < HBondEnergyCutOff ) ||
+                ( (*ResInfoMap)[Donor].acceptor[1] == (*ResInfoMap)[Acceptor].info && (*ResInfoMap)[Donor].acceptorEnergy[1] < HBondEnergyCutOff );
     }
 }