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src/documentation/constructs/atoms.dox
r9e1d01 r750cff 56 56 * compatible implementation. 57 57 * 58 * \section atoms-copy Copying atoms59 58 * 60 * Copying atoms is a frequent action. That's why there are specific functors 61 * to get it done in more and more complex ways. The functors all inherit 62 * the \ref CopyAtomsInterface and the more complex ones build upon the 63 * functionality of the simpler ones: 64 * -# CopyAtomsInterface: Internally sets to the number of desired atoms. 65 * -# CopyAtoms_Simple: Fills the internal set with true copies. 66 * -# CopyAtoms_withBonds: Additionally also adds bonds in between the copies 67 * as they exist in between the original atoms. 68 * -# CopyAtoms_SaturateDanglingBonds: additionally checks for cut bond that 69 * would now become dangling bonds and inserts additional hydrogens for 70 * each cut bond such that the copied array of atoms is saturated. 71 * 72 * The CopyAtomsInterface is simple to use: 73 * \code 74 * std::vector<atom *> atoms_to_copy; 75 * CopyAtoms_Simple copyMethod; 76 * copyMethod(atoms_to_copy); 77 * std::vector<atom *> copiedAtoms = getCopiedAtoms(); 78 * \endcode 79 * 80 * 81 * \date 2012-03-30 82 * 59 * \date 2011-10-31 83 60 */
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