Тестирую тесты тестами

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 9919b8dbabb9598ec69934ca892dedc3a306abe9..4569567beb0e843810e4cf17796594be0f1e1bdb 100644 (file)
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -469,35 +469,35 @@ std::string secondaryStructures::patternSearch(){
 //        std::cout << (*ResInfoMap)[i].info->nr << " " << *((*ResInfoMap)[i].info->name) << std::endl;
 //    }
 
-//    std::cout.precision(5);
-//    for(std::size_t i{0}; i < ResInfoMap->size(); ++i, std::cout << std::endl << 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[0] << " 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[0] ;
-//        }
-//        else {
-//            std::cout << " has no acceptor[0]" ;
-//        }
-//        std::cout << std::endl << "Also, " << (*ResInfoMap)[i].info->nr << " " << *((*ResInfoMap)[i].info->name);
-//        if ( (*ResInfoMap)[i].donor[1] != nullptr ){
-//            std::cout << " has donor[1] = " << (*ResInfoMap)[i].donor[1]->nr << " " << *((*ResInfoMap)[i].donor[1]->name) << " with E = " << (*ResInfoMap)[i].donorEnergy[1] << " and" ;
-//        }
-//        else {
-//            std::cout << " has no donor[1] and" ;
-//        }
-//        if ( (*ResInfoMap)[i].acceptor[1] != nullptr ){
-//            std::cout << " has acceptor[1] = " << (*ResInfoMap)[i].acceptor[1]->nr << " " << *((*ResInfoMap)[i].acceptor[1]->name) << " with E = " << (*ResInfoMap)[i].acceptorEnergy[1] ;
-//        }
-//        else {
-//            std::cout << " has no acceptor[1]" ;
-//        }
-//    }
+    std::cout.precision(5);
+    for(std::size_t i{0}; i < ResInfoMap->size(); ++i, std::cout << std::endl << 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[0] << " 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[0] ;
+        }
+        else {
+            std::cout << " has no acceptor[0]" ;
+        }
+        std::cout << std::endl << "Also, " << (*ResInfoMap)[i].info->nr << " " << *((*ResInfoMap)[i].info->name);
+        if ( (*ResInfoMap)[i].donor[1] != nullptr ){
+            std::cout << " has donor[1] = " << (*ResInfoMap)[i].donor[1]->nr << " " << *((*ResInfoMap)[i].donor[1]->name) << " with E = " << (*ResInfoMap)[i].donorEnergy[1] << " and" ;
+        }
+        else {
+            std::cout << " has no donor[1] and" ;
+        }
+        if ( (*ResInfoMap)[i].acceptor[1] != nullptr ){
+            std::cout << " has acceptor[1] = " << (*ResInfoMap)[i].acceptor[1]->nr << " " << *((*ResInfoMap)[i].acceptor[1]->name) << " with E = " << (*ResInfoMap)[i].acceptorEnergy[1] ;
+        }
+        else {
+            std::cout << " has no acceptor[1]" ;
+        }
+    }
 
     /*Write Data*/
 
@@ -762,27 +762,27 @@ float DsspTool::CalculateDihedralAngle(const int &A, const int &B, const int &C,
         y[i] = (z[j] * x[k]) - (z[k] * x[j]);
     }
 
-    std::cout << "v12 = " << v12[0] << ", " << v12[1] << ", " << v12[2] << std::endl;
-    std::cout << "v43 = " << v43[0] << ", " << v43[1] << ", " << v43[2] << std::endl;
-    std::cout << "z = " << z[0] << ", " << z[1] << ", " << z[2] << std::endl;
-    std::cout << "p = " << p[0] << ", " << p[1] << ", " << p[2] << std::endl;
-    std::cout << "x = " << x[0] << ", " << x[1] << ", " << x[2] << std::endl;
-    std::cout << "y = " << y[0] << ", " << y[1] << ", " << y[2] << std::endl;
+//    std::cout << "v12 = " << v12[0] << ", " << v12[1] << ", " << v12[2] << std::endl;
+//    std::cout << "v43 = " << v43[0] << ", " << v43[1] << ", " << v43[2] << std::endl;
+//    std::cout << "z = " << z[0] << ", " << z[1] << ", " << z[2] << std::endl;
+//    std::cout << "p = " << p[0] << ", " << p[1] << ", " << p[2] << std::endl;
+//    std::cout << "x = " << x[0] << ", " << x[1] << ", " << x[2] << std::endl;
+//    std::cout << "y = " << y[0] << ", " << y[1] << ", " << y[2] << std::endl;
 
     u = (x[XX] * x[XX]) + (x[YY] * x[YY]) + (x[ZZ] * x[ZZ]);
     v = (y[XX] * y[XX]) + (y[YY] * y[YY]) + (y[ZZ] * y[ZZ]);
 
-    std::cout << "u = " << u << std::endl;
-    std::cout << "v = " << v << std::endl;
+//    std::cout << "u = " << u << std::endl;
+//    std::cout << "v = " << v << std::endl;
 
     if (u > 0 and v > 0){
         u = ((p[XX] * x[XX]) + (p[YY] * x[YY]) + (p[ZZ] * x[ZZ])) / std::sqrt(u);
         v = ((p[XX] * y[XX]) + (p[YY] * y[YY]) + (p[ZZ] * y[ZZ])) / std::sqrt(v);
-        std::cout << "new u = " << u << std::endl;
-        std::cout << "new v = " << v << std::endl;
+//        std::cout << "new u = " << u << std::endl;
+//        std::cout << "new v = " << v << std::endl;
         if (u != 0 or v != 0){
             result = std::atan2(v, u) * gmx::c_rad2Deg;
-            std::cout << "result = " << result << std::endl;
+//            std::cout << "result = " << result << std::endl;
         }
     }
     return result;