Grid

This class is a base class to perform neighbor search between structural particles (i.e. atoms or pseudo-atoms). Internally, the neighbor search algorithm uses a grid to efficiently determine neighbors.

You can get a neighbor list for a structural particle:

# get a neighbor list for a structural particle with an index 0
      neighborIndexer = grid.getNeighborIndexer(0)

# get a neighbor list for a structural particle structuralParticle
      neighborIndexer = grid.getNeighborIndexer(structuralParticle)

To update the neighbor list execute:

grid.update()

See also

SAMSON API: SBMStructuralModelGrid

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).

areNeighbors(*args, **kwargs)

Overloaded function.

  1. areNeighbors(self: samson.Modeling.StructuralModel.Grid, i: int, j: int) -> bool

Returns whether particles with indices i and j are neighbors

  1. areNeighbors(self: samson.Modeling.StructuralModel.Grid, structuralParticleI: SBMStructuralModelNodeParticle, structuralParticleJ: SBMStructuralModelNodeParticle) -> bool

Returns whether structural particles structuralParticleI and structuralParticleJ are neighbors

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

Returns the memory footprint

getNeighborVector(*args, **kwargs)

Overloaded function.

  1. getNeighborVector(self: samson.Modeling.StructuralModel.Grid, i: int) -> std::vector<SBMStructuralModelNodeParticle*, std::allocator<SBMStructuralModelNodeParticle*> >

Returns the neighbor indexer of structural particle i

  1. getNeighborVector(self: samson.Modeling.StructuralModel.Grid, structuralParticle: SBMStructuralModelNodeParticle) -> std::vector<SBMStructuralModelNodeParticle*, std::allocator<SBMStructuralModelNodeParticle*> >

Returns the neighbor indexer of structural particle structuralParticle

getNeighbors(*args, **kwargs)

Overloaded function.

  1. getNeighbors(self: samson.Modeling.StructuralModel.Grid, position: samson.DataModel.Type.vector3, radius: samson.DataModel.Quantity.unitsSI) -> std::vector<SBMStructuralModelNodeParticle*, std::allocator<SBMStructuralModelNodeParticle*> >

Returns vector of all structural particles that are at a distance smaller than or equal to radius from the specified position

  1. getNeighbors(self: samson.Modeling.StructuralModel.Grid, box: samson.DataModel.Type.intervalVector3) -> std::vector<SBMStructuralModelNodeParticle*, std::allocator<SBMStructuralModelNodeParticle*> >

Returns vector of all structural particles inside the box

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

Updates the grid and neighbor lists