Action_Thermostats
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
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Last change
on this file since 7516f6 was 6d551c, checked in by Frederik Heber <heber@…>, 12 years ago |
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ListOfLocalAtoms is now a map, inherited into a distinct class.
- this is preparatory for allowing arbitrary fragmentation of atoms not only of
a single molecule.
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Property mode
set to
100644
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File size:
509 bytes
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| 1 | /*
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| 2 | * ListOfLocalAtoms.hpp
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| 3 | *
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| 4 | * Created on: Sep 7, 2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef LISTOFLOCALATOMS_HPP_
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| 9 | #define LISTOFLOCALATOMS_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 <map>
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| 18 |
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| 19 | #include "types.hpp"
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| 20 |
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| 21 | class atom;
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| 22 |
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| 23 | /** This structure contains the reverse lookup to atom::father entry.
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| 24 | *
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| 25 | * We want to know the copied atom from the original one.
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| 26 | *
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| 27 | */
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| 28 | struct ListOfLocalAtoms_t : public std::map<atomId_t, atom *>
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| 29 | {
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| 30 |
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| 31 | };
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| 32 |
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| 33 | #endif /* LISTOFLOCALATOMS_HPP_ */
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