Continuous1DFunction¶
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class
OpenMM
::
Continuous1DFunction
¶ This is a
TabulatedFunction
that computes a continuous one dimensional function.Methods
Create a
Continuous1DFunction
f(x) based on a set of tabulated values.Get the parameters for the tabulated function.
Set the parameters for the tabulated function.
Create a deep copy of the tabulated function.
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Continuous1DFunction
(const std::vector<double> &values, double min, double max, bool periodic = false)¶ Create a
Continuous1DFunction()
f(x) based on a set of tabulated values.- Parameters
values – the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.
min – the value of x corresponding to the first element of values
max – the value of x corresponding to the last element of values
periodic – whether the interpolated function is periodic
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void
getFunctionParameters
(std::vector<double> &values, double &min, double &max) const¶ Get the parameters for the tabulated function.
- Parameters
values – [out] the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.
min – [out] the value of x corresponding to the first element of values
max – [out] the value of x corresponding to the last element of values
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void
setFunctionParameters
(const std::vector<double> &values, double min, double max)¶ Set the parameters for the tabulated function.
- Parameters
values – the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.
min – the value of x corresponding to the first element of values
max – the value of x corresponding to the last element of values
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Continuous1DFunction *
Copy
() const¶ Create a deep copy of the tabulated function.
Deprecated
This will be removed in a future release.
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