Changes in src/atom_bondedparticle.cpp [791138:1f1b23]

File:

• src/atom_bondedparticle.cpp (modified) (2 diffs)

src/atom_bondedparticle.cpp

@@ -56 +56 @@
  * \param *AdjacencyFile output stream
  */
-void BondedParticle::OutputAdjacency(ofstream *AdjacencyFile) const
+void BondedParticle::OutputAdjacency(ofstream * const AdjacencyFile) const
 {
   *AdjacencyFile << nr << "\t";
@@ -62 +62 @@
     *AdjacencyFile << (*Runner)->GetOtherAtom(this)->nr << "\t";
   *AdjacencyFile << endl;
+};
+
+/** Output of atom::nr along each bond partner per line.
+ * Only bonds are printed where atom::nr is smaller than the one of the bond partner.
+ * \param *AdjacencyFile output stream
+ */
+void BondedParticle::OutputBonds(ofstream * const BondFile) const
+{
+  for (BondList::const_iterator Runner = ListOfBonds.begin(); Runner != ListOfBonds.end(); (++Runner))
+    if (nr < (*Runner)->GetOtherAtom(this)->nr)
+      *BondFile << nr << "\t" << (*Runner)->GetOtherAtom(this)->nr << "\n";
 };