paramagpy.metal.Metal.make_mesh

Metal.make_mesh(density=2, size=40.0, origin=None)

Construct a 3D grid of points to map an isosurface

This is contained in a cube

Parameters

• density (int (optional)) – the points per Angstrom in the grid

• size (float (optional)) – the length of one edge of the cube

Returns

• mesh (cubic grid array) – This has shape (n,n,n,3) where n is the number of points along one edge of the grid. Units are meters

• origin (array of floats,) – the (x,y,z) location of mesh vertex

• low (array of ints, the integer location of the first) – point in each dimension

• high (array of ints, the integer location of the last) – point in each dimension

• points (array of ints,) – the number of points along each dimension