Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Last change
on this file since 4464ef was 9e1d01, checked in by Frederik Heber <heber@…>, 13 years ago |
Added CopyAtoms structure.
- this creates a copy of a vector of atoms with as much depth as desired by
the user.
- this is a hierarchy of functors that each add additional functionality such
as also re-creating the bonds, ...
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Property mode
set to
100644
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File size:
1004 bytes
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1 | /*
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2 | * CopyAtoms_Simple.hpp
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3 | *
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4 | * Created on: Mar 17, 2012
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef COPYATOMS_SIMPLE_HPP_
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9 | #define COPYATOMS_SIMPLE_HPP_
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10 |
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11 |
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12 | // include config.h
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13 | #ifdef HAVE_CONFIG_H
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14 | #include <config.h>
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15 | #endif
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16 |
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17 | #include <algorithm>
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18 | #include <boost/bind.hpp>
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19 |
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20 | #include "Atom/atom.hpp"
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21 | #include "Atom/CopyAtoms/CopyAtomsInterface.hpp"
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22 |
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23 | /** This is an implementation of CopyAtomsInterface that simply copies each atom.
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24 | *
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25 | */
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26 | class CopyAtoms_Simple : public CopyAtomsInterface
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27 | {
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28 | public:
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29 | /** Destructor.
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30 | *
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31 | */
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32 | virtual ~CopyAtoms_Simple()
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33 | {}
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34 |
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35 | /** This operator simply copies all the atoms in \a CopyAtomsInterface::atoms and
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36 | * translates them to the same position.
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37 | *
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38 | * @param _atoms atoms to copy
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39 | */
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40 | virtual void operator()(const AtomVector &_atoms)
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41 | {
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42 | CopyAtomsInterface::operator()(_atoms);
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43 |
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44 | // copy each atom
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45 | std::transform(_atoms.begin(), _atoms.end(), CopiedAtoms.begin(),
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46 | boost::bind(&atom::clone, _1) );
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47 | }
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48 | };
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49 |
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50 |
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51 | #endif /* COPYATOMS_SIMPLE_HPP_ */
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