Density.surface_coordinates#
- Density.surface_coordinates(density_boundaries, method='ConvexHull')[source]#
Calculates the surface coordinates of the class instance using different boundary and surface detection methods. This method is relevant for determining coordinates used in non-exhaustive template matching, see
tme.matching_optimization.optimize_match
.- Parameters:
- density_boundariestuple
Lower and upper bound of density values to be considered (can be obtained from
Density.density_boundary()
).- methodstr, optional
Method to use for surface coordinate computation
ConvexHull
Use the lower bound density convex hull vertices.
Weight
Use all coordinates within
density_boundaries
.Sobel
Set densities below the lower bound density to zero apply a sobel filter and return density coordinates larger than 0.5 times the maximum filter value.
Laplace
Like ‘Sobel’, but with a Laplace filter.
Minimum
Like ‘Sobel’ and ‘Laplace’ but with a spherical minimum filter on the lower density bound.
- Returns:
- NDArray
An array of surface coordinates with shape (points, dimensions).
- Raises:
- ValueError
If the chosen method is not available.
See also
References
[1]Cragnolini T, et al. (2021) Acta Crys Sect D Struct Biol