Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
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Last change
on this file since 37fe17 was 795c0f, checked in by Frederik Heber <heber@…>, 10 years ago |
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World::getAtoms() now has const versions as well.
- this in turn required to adapt all AtomDescriptors and some fixes, e.g.
predicate is now const member and works on const atom ptr.
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Property mode
set to
100644
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File size:
759 bytes
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| [6d858c] | 1 | /*
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| 2 | * AtomShapeDescriptor_impl.hpp
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| 3 | *
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| 4 | * Created on: Jul 22, 2010
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| 5 | * Author: crueger
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| 6 | */
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| 7 |
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| 8 | #ifndef ATOMSHAPEDESCRIPTOR_IMPL_HPP_
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| 9 | #define ATOMSHAPEDESCRIPTOR_IMPL_HPP_
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| 10 |
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| [56f73b] | 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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| [6d858c] | 17 | #include "Descriptors/AtomDescriptor_impl.hpp"
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| 18 |
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| 19 | #include "Shapes/Shape.hpp"
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| 20 |
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| 21 | class AtomShapeDescriptor_impl : public AtomDescriptor_impl
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| 22 | {
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| 23 | public:
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| 24 | AtomShapeDescriptor_impl(const Shape&);
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| 25 | virtual ~AtomShapeDescriptor_impl();
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| 26 |
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| [795c0f] | 27 | bool predicate(std::pair<atomId_t,const atom*> atom) const;
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| [6d858c] | 28 | private:
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| [795c0f] | 29 | virtual atom *find();
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| 30 | virtual const atom *find() const;
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| [d927ab] | 31 | virtual std::vector<atom*> findAll();
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| [795c0f] | 32 | virtual std::vector<const atom*> findAll() const;
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| [d927ab] | 33 |
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| [6d858c] | 34 | Shape shape;
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| 35 | };
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| 36 |
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| 37 | #endif /* ATOMSHAPEDESCRIPTOR_IMPL_HPP_ */
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