TabulatedFunction

class openmm.openmm.TabulatedFunction(*args, **kwargs)

A TabulatedFunction uses a set of tabulated values to define a mathematical function. It can be used by various custom forces.

TabulatedFunction is an abstract class with concrete subclasses for more specific types of functions. There are subclasses for:

  • 1, 2, and 3 dimensional functions. The dimensionality of a function means the number of input arguments it takes.

  • Continuous and discrete functions. A continuous function is interpolated by fitting a natural cubic spline to the tabulated values. A discrete function is only defined for integer values of its arguments (that is, at the tabulated points), and does not try to interpolate between them. Discrete function can be evaluated more quickly than continuous ones.

__init__(*args, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

Methods

Copy(self)

__init__(*args, **kwargs)

Initialize self.

getPeriodic(self)

Get the periodicity status of the tabulated function.

Attributes

thisown

The membership flag

property thisown

The membership flag

Copy(self)TabulatedFunction

Deprecated

This will be removed in a future release.

getPeriodic(self)bool

Get the periodicity status of the tabulated function.

__eq__(self, other)bool
__ne__(self, other)bool