Changes in src/documentation/constructs/atoms.dox [750cff:9e1d01]

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• src/documentation/constructs/atoms.dox (modified) (1 diff)

src/documentation/constructs/atoms.dox ¶

@@ -56 +56 @@
  * compatible implementation.
  *
+ * \section atoms-copy Copying atoms
  *
- * \date 2011-10-31
+ * Copying atoms is a frequent action. That's why there are specific functors
+ * to get it done in more and more complex ways. The functors all inherit
+ * the \ref CopyAtomsInterface and the more complex ones build upon the
+ * functionality of the simpler ones:
+ * -# CopyAtomsInterface: Internally sets to the number of desired atoms.
+ * -# CopyAtoms_Simple: Fills the internal set with true copies.
+ * -# CopyAtoms_withBonds: Additionally also adds bonds in between the copies
+ *    as they exist in between the original atoms.
+ * -# CopyAtoms_SaturateDanglingBonds: additionally checks for cut bond that
+ *    would now become dangling bonds and inserts additional hydrogens for
+ *    each cut bond such that the copied array of atoms is saturated.
+ *
+ * The CopyAtomsInterface is simple to use:
+ * \code
+ *   std::vector<atom *> atoms_to_copy;
+ *   CopyAtoms_Simple copyMethod;
+ *   copyMethod(atoms_to_copy);
+ *   std::vector<atom *> copiedAtoms = getCopiedAtoms();
+ * \endcode
+ *
+ *
+ * \date 2012-03-30
+ *
  */