source: src/Actions/SelectionAction/Atoms/InvertAtomsAction.hpp@ 56b4c6

AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since 56b4c6 was ebc499, checked in by Frederik Heber <heber@…>, 13 years ago

Added InvertMoleculesAction and InvertAtomsAction.

  • World has two new functions invertAtomSelection() and ..MoleculeSelection().
  • these actions are needed to get some of the boolean operations working that are possible inside the code but not outside. Concatenated selections are on the command-line always combined as OR and never as AND, via an invertion operation, we may combine these into an effective AND combination.
  • also added regression tests Selection/Atoms/InvertAtoms and Selection/ Molecules/InvertMolecules.
  • Property mode set to 100644
File size: 355 bytes
Line 
1/*
2 * InvertAtomsAction.hpp
3 *
4 * Created on: Mar 12, 2012
5 * Author: heber
6 */
7
8#ifndef INVERTATOMSACTION_HPP_
9#define INVERTATOMSACTION_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
17#include "Actions/Action.hpp"
18
19#include "InvertAtomsAction.def"
20#include "Action_impl_header.hpp"
21
22#endif /* INVERTATOMSACTION_HPP_ */
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