Grid¶

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

getMemoryFootprint(self: samson.Core.Reference.ReferenceTarget) → int¶

Returns the memory footprint

getNeighborIndexer(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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

sprint(self: samson.Modeling.StructuralModel.Grid, offset: int=0) → None¶

Prints some debugging information

update(self: samson.Modeling.StructuralModel.Grid) → None¶

Updates the grid and neighbor lists