Continuous1DFunction
¶
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class Continuous1DFunction : public OpenMM::TabulatedFunction¶
This is a TabulatedFunction that computes a continuous one dimensional function.
Public Functions
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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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virtual Continuous1DFunction *Copy() const¶
Create a deep copy of the tabulated function.
- Deprecated:
This will be removed in a future release.
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Continuous1DFunction(const std::vector<double> &values, double min, double max, bool periodic = false)¶