Changes in src/Fragmentation/Exporters/SaturatedFragment.cpp [910a5d:5d5550]

File:

• src/Fragmentation/Exporters/SaturatedFragment.cpp (modified) (2 diffs)

src/Fragmentation/Exporters/SaturatedFragment.cpp

@@ -311 +311 @@
   _atom->setFixedIon(true);
   // if we replace hydrogen, we mark it as our father, otherwise we are just an added hydrogen with no father
-  _atom->setFather(_father);
+  _atom->father = _father;
   SaturationHydrogens.insert(_atom->getId());
 
@@ -387 +387 @@
   _atom->setFixedIon(replacement->getFixedIon());
   // if we replace hydrogen, we mark it as our father, otherwise we are just an added hydrogen with no father
-  _atom->setFather(replacement);
+  _atom->father = replacement;
   SaturationHydrogens.insert(_atom->getId());
   return _atom;