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.
`getUpdateCount`(self)	Get the value of a counter that is updated every time setFunctionParameters() is called.
`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.

__eq__(self, other) → bool¶

__ne__(self, other) → bool¶

getPeriodic(self) → bool¶: Get the periodicity status of the tabulated function.

getUpdateCount(self) → int¶: Get the value of a counter that is updated every time setFunctionParameters() is called. This provides a fast way to detect when a function has changed.