Changeset 0647f4 for molecuilder/src/atom_bondedparticle.cpp

Timestamp:

May 8, 2010, 12:17:30 PM (15 years ago)

Author:

Frederik Heber <heber@…>

Children:

401b97

Parents:

abde75 (diff), d3513b (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'StateAndFormatParser' into CommandLineActionMapping

Conflicts:

molecuilder/src/Makefile.am
molecuilder/src/tesselation.cpp
molecuilder/src/unittests/Makefile.am

The following conflicts had to be resolved:

• molecuilder/src/Makefile.am had an old version of the HEADER definition which would not be merged automatically. ${PARSERHEADER} was missing.
• molecuilder/src/unittests/Makefile.am had an blank line too much
• TesselPoint::TesselPoint() had an older version where TesselPoint::Name was initialized to "-" instead of NULL. The latter should be correct due to missing delete(Name) in destructor.
• compilation errors arose due to the private nature of Vector::x[] introduced in the branch VectorRefactoring. This has been fixed in XyzParser, TremoloParser and the ParserUnitTest.
• ParserUnitTest runs fine.

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/atom_bondedparticle.cpp (modified) (1 diff)

molecuilder/src/atom_bondedparticle.cpp

@@ -74 +74 @@
       *BondFile << nr << "\t" << (*Runner)->GetOtherAtom(this)->nr << "\n";
 };
+
+/**
+ * Adds a bond between this bonded particle and another. Does nothing if this
+ * bond already exists.
+ *
+ * \param bonding partner
+ */
+void BondedParticle::addBond(BondedParticle* Partner) {
+  if (IsBondedTo(Partner)) {
+    return;
+  }
+
+  bond* newBond = new bond((atom*) this, (atom*) Partner, 1, 0);
+  RegisterBond(newBond);
+  Partner->RegisterBond(newBond);
+}
 
 /** Puts a given bond into atom::ListOfBonds.