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 7daf73, checked in by Frederik Heber <heber@…>, 9 years ago |
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LinkedCell's LinkedList is now a vector and no longer a set.
- this was causing conflicts in tests as the order of the atoms/TesselPoints
in the LinkedList returned by getAllNeighbors() would depend on the order in
memory and not on the geometrical ordering or on the ids.
- TESTFIX: needed to replace use of insert() in (unit)tests by push_back. But all
in all only Molecules Removal regression test's pdb file is affected.
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Property mode
set to
100644
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File size:
751 bytes
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| 1 | /*
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| 2 | * types.hpp
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| 3 | *
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| 4 | * Created on: Nov 15, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef LINKEDCELL_TYPES_HPP_
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| 9 | #define LINKEDCELL_TYPES_HPP_
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| 10 |
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| 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 | #include <set>
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| 17 | #include <vector>
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| 18 |
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| 19 | #include <boost/multi_array.hpp>
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| 20 |
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| 21 | #include "LinearAlgebra/defs.hpp"
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| 22 |
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| 23 | class TesselPoint;
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| 24 |
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| 25 | namespace LinkedCell {
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| 26 |
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| 27 | //< Upper bound for number of cell nodes used in sensibility check on allocation.
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| 28 | enum { MAX_LINKEDCELLNODES = 1000000 };
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| 29 |
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| 30 | class LinkedCell;
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| 31 |
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| 32 | //!> linked list of tesselpoints
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| 33 | typedef std::vector<const TesselPoint *> LinkedList;
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| 34 |
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| 35 | //!> three-dimensional array of LinkedCell instances
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| 36 | typedef boost::multi_array<LinkedCell *, NDIM> LinkedCellArray;
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| 37 | }
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| 38 |
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| 39 |
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| 40 | #endif /* LINKEDCELL_TYPES_HPP_ */
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