Discrete1DFunction

class OpenMM::Discrete1DFunction : public OpenMM::TabulatedFunction

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

Public Functions

Discrete1DFunction(const std::vector<double> &values)

Create a Discrete1DFunction f(x) based on a set of tabulated values.

Parameters

values – the tabulated values of the function f(x)

void getFunctionParameters(std::vector<double> &values) const

Get the parameters for the tabulated function.

Parameters

values – [out] the tabulated values of the function f(x)

void setFunctionParameters(const std::vector<double> &values)

Set the parameters for the tabulated function.

Parameters

values – the tabulated values of the function f(x)

virtual Discrete1DFunction *Copy() const

Create a deep copy of the tabulated function

Deprecated:

This will be removed in a future release.