Grid¶
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class
samson.Modeling.StructuralModel.
Grid
(self: samson.Modeling.StructuralModel.Grid, arg0: samson.DataModel.DataGraph.NodeIndexer, arg1: samson.DataModel.Quantity.unitsSI) → None¶ Bases:
samson.Core.Reference.ReferenceTarget
This class describes a grid-based neighbor search algorithm that can be applied to structural particles (atoms or pseudo-atoms).
SAMSON API: SBMStructuralModelGrid
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getMemoryFootprint
(self: samson.Core.Reference.ReferenceTarget) → int¶ Returns the memory footprint
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getNeighborIndexer
(*args, **kwargs)¶ Overloaded function.
- getNeighborIndexer(self: samson.Modeling.StructuralModel.Grid, i: int) -> SBCContainerIndexer<SBMStructuralModelNodeParticle*, SBCContainerHashMap<SBMStructuralModelNodeParticle*, unsigned int, SBCContainerHashMapFunctor<SBMStructuralModelNodeParticle*>, SBCContainerHashMapKeyComparator<SBMStructuralModelNodeParticle*> >, SBCContainerVector<SBMStructuralModelNodeParticle*> >
Returns the neighbor indexer of structural particle i
- getNeighborIndexer(self: samson.Modeling.StructuralModel.Grid, structuralParticle: SBMStructuralModelNodeParticle) -> SBCContainerIndexer<SBMStructuralModelNodeParticle*, SBCContainerHashMap<SBMStructuralModelNodeParticle*, unsigned int, SBCContainerHashMapFunctor<SBMStructuralModelNodeParticle*>, SBCContainerHashMapKeyComparator<SBMStructuralModelNodeParticle*> >, SBCContainerVector<SBMStructuralModelNodeParticle*> >
Returns the neighbor indexer of structural particle structuralParticle
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sprint
(self: samson.Modeling.StructuralModel.Grid, offset: int=0) → None¶ Prints some debugging information
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update
(self: samson.Modeling.StructuralModel.Grid) → None¶ Updates the grid and neighbor lists
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