Changeset 899029f for molecuilder/src/boundary.cpp

Timestamp:

Apr 2, 2009, 4:42:53 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

378e87, 8b05c6, d2639f

Parents:

3021d93

Message:

Framework for embedding one molecule into another, now the embedding center finding is "only" missing

File:

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

molecuilder/src/boundary.cpp

@@ -2798 +2798 @@
 };
 
+/** Finds a hole of sufficient size in \a this molecule to embed \a *srcmol into it.
+ * \param *out output stream for debugging
+ * \param *srcmol molecule to embed into
+ * \return *Vector new center of \a *srcmol for embedding relative to \a this
+ */
+Vector* molecule::FindEmbeddingHole(ofstream *out, molecule *srcmol)
+{
+  Vector *Center = new Vector;
+  Center->Zero();
+  // calculate volume/shape of \a *srcmol
+
+  // find embedding holes
+
+  // if more than one, let user choose
+
+  // return embedding center
+  return Center;
+};
+