Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
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
TremoloParser_MultipleTimesteps
Last change
on this file since 70f2a1 was aa91de0, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
FIX: size_t definition missing and other fixes.
- cstddef defines both size_t and NULL.
- also string include missing.
- this is in preparation for removing MemDebug include.
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-
Property mode
set to
100644
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File size:
1.7 KB
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[cae614] | 1 | /*
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| 2 | * BaseFillerPrepator.hpp
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| 3 | *
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| 4 | * Created on: Sep 2, 2014
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef BASEFILLERPREPARATOR_HPP_
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| 9 | #define BASEFILLERPREPARATOR_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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[aa91de0] | 16 | #include <cstddef>
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| 17 |
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[cae614] | 18 | class atom;
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| 19 | class Filler;
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| 20 | class FillPredicate;
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| 21 | class Inserter;
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| 22 | class LinkedCell_deprecated;
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| 23 | class Mesh;
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| 24 | class molecule;
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| 25 | class Tesselation;
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| 26 |
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| 27 | #include <vector>
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| 28 |
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| 29 | /** BaseFillerPrepator is the base class for all specific filler preparators.
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| 30 | *
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| 31 | * Specific preparators combine all the various aspects of filling into a specific
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| 32 | * package for easy and convenient calling for returning a filler function.
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| 33 | *
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| 34 | * It defines both the interface and implements some common functions.
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| 35 | */
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| 36 | class BaseFillerPreparator
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| 37 | {
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| 38 | public:
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| 39 | BaseFillerPreparator(molecule *_filler);
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| 40 | virtual ~BaseFillerPreparator();
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| 41 |
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| 42 | void addSurfacePredicate(
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| 43 | const double _radius,
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[df0c80] | 44 | std::vector<atom *> &_atoms,
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| 45 | const double minimum_distance = 0.);
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[cae614] | 46 | void addRandomInserter(
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| 47 | const double _RandAtomDisplacement,
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| 48 | const double _RandMoleculeDisplacement,
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| 49 | const bool _DoRotate);
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| 50 | void addVoidPredicate(
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| 51 | const double _mindistance);
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| 52 | bool operator()();
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| 53 |
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| 54 | /* The operator is just a getter for the constructed fillerFunction.
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| 55 | *
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| 56 | * \return allocated Filler (is not deleted here)
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| 57 | */
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| 58 | Filler* obtainFiller()
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| 59 | {
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| 60 | Filler *temp = fillerFunction;
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| 61 | fillerFunction = NULL;
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| 62 | return temp;
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| 63 | }
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| 64 |
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| 65 | protected:
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| 66 | molecule *filler;
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| 67 | FillPredicate * surface_predicate;
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| 68 | LinkedCell_deprecated * LC;
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| 69 | Tesselation * TesselStruct;
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| 70 | FillPredicate *voidnode_predicate;
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| 71 | FillPredicate *Andpredicate;
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| 72 | Mesh *mesh;
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| 73 | Inserter *inserter;
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| 74 | Filler *fillerFunction;
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| 75 | };
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| 76 |
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| 77 |
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| 78 | #endif /* BASEFILLERPREPARATOR_HPP_ */
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