Discrete3DFunction

class openmm.openmm.Discrete3DFunction(xsize, ysize, zsize, values)

This is a TabulatedFunction that computes a discrete three dimensional function f(x,y,z). To evaluate it, x, y, and z are each rounded to the nearest integer and the table element with those indices is returned. If any index is outside the range [0, size), the result is undefined.

__init__(self, xsize, ysize, zsize, values)Discrete3DFunction

This is a TabulatedFunction that computes a discrete three dimensional function f(x,y,z). To evaluate it, x, y, and z are each rounded to the nearest integer and the table element with those indices is returned. If any index is outside the range [0, size), the result is undefined.

Methods

Copy(self)

__init__(self, xsize, ysize, zsize, values)

This is a TabulatedFunction that computes a discrete three dimensional function f(x,y,z).

getFunctionParameters(self)

getPeriodic(self)

Get the periodicity status of the tabulated function.

setFunctionParameters(self, xsize, ysize, …)

Attributes

thisown

The membership flag

property thisown

The membership flag

getFunctionParameters(self)
setFunctionParameters(self, xsize, ysize, zsize, values)
Copy(self)Discrete3DFunction

Deprecated

This will be removed in a future release.

__copy__(self)TabulatedFunction
getPeriodic(self)bool

Get the periodicity status of the tabulated function.