spline¶
Bindings for numeric::interpolation::spline namespace
- class pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline¶
Bases:
pybind11_builtins.pybind11_object
- Clone(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline) pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline ¶
Captal-C Clone function: make a copy and return a raw pointer to the copy.
Why do we need this?!? –VKM, Nov 2018.
C++: numeric::interpolation::spline::BicubicSpline::Clone() const –> class numeric::interpolation::spline::BicubicSpline *
- F(*args, **kwargs)¶
Overloaded function.
F(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline, ARGUMENTS: pyrosetta.rosetta.numeric.MathVector_double_t) -> float
value at (x, y)
C++: numeric::interpolation::spline::BicubicSpline::F(const class numeric::MathVector<double> &) const –> double
F(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline, x: float, y: float) -> float
value at (x, y)
C++: numeric::interpolation::spline::BicubicSpline::F(double, double) const –> double
- FdF(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline, ARGUMENTS: pyrosetta.rosetta.numeric.MathVector_double_t) Tuple[float, pyrosetta.rosetta.numeric.MathVector_double_t] ¶
value and derivative at (x, y)
C++: numeric::interpolation::spline::BicubicSpline::FdF(const class numeric::MathVector<double> &) const –> struct std::pair<double, class numeric::MathVector<double> >
- assign(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline, : pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline) pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline ¶
C++: numeric::interpolation::spline::BicubicSpline::operator=(const class numeric::interpolation::spline::BicubicSpline &) –> class numeric::interpolation::spline::BicubicSpline &
- clone(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline) pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline ¶
clone function: make a copy and return owning pointer to the copy.
C++: numeric::interpolation::spline::BicubicSpline::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::BicubicSpline>
- dFdx(*args, **kwargs)¶
Overloaded function.
dFdx(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline, ARGUMENTS: pyrosetta.rosetta.numeric.MathVector_double_t) -> float
partial derivative at (x, y) for x
C++: numeric::interpolation::spline::BicubicSpline::dFdx(const class numeric::MathVector<double> &) const –> double
dFdx(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline, x: float, y: float) -> float
partial derivative at (x, y) for x
C++: numeric::interpolation::spline::BicubicSpline::dFdx(double, double) const –> double
- dFdy(*args, **kwargs)¶
Overloaded function.
dFdy(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline, ARGUMENTS: pyrosetta.rosetta.numeric.MathVector_double_t) -> float
partial derivative at (x, y) for y
C++: numeric::interpolation::spline::BicubicSpline::dFdy(const class numeric::MathVector<double> &) const –> double
dFdy(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline, x: float, y: float) -> float
partial derivative at (x, y) for y
C++: numeric::interpolation::spline::BicubicSpline::dFdy(double, double) const –> double
- get_dsecox(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline) pyrosetta.rosetta.numeric.MathMatrix_double_t ¶
C++: numeric::interpolation::spline::BicubicSpline::get_dsecox() const –> const class numeric::MathMatrix<double> &
- get_dsecoxy(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline) pyrosetta.rosetta.numeric.MathMatrix_double_t ¶
C++: numeric::interpolation::spline::BicubicSpline::get_dsecoxy() const –> const class numeric::MathMatrix<double> &
- get_dsecoy(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline) pyrosetta.rosetta.numeric.MathMatrix_double_t ¶
C++: numeric::interpolation::spline::BicubicSpline::get_dsecoy() const –> const class numeric::MathMatrix<double> &
- get_values(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline) pyrosetta.rosetta.numeric.MathMatrix_double_t ¶
get the second order derivatives of the spline
C++: numeric::interpolation::spline::BicubicSpline::get_values() const –> const class numeric::MathMatrix<double> &
- sqr(self: pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline, x: float) float ¶
C++: numeric::interpolation::spline::BicubicSpline::sqr(const double &) const –> double
- class pyrosetta.rosetta.numeric.interpolation.spline.BorderFlag¶
Bases:
pybind11_builtins.pybind11_object
Members:
e_Natural
e_Periodic
e_FirstDer
- e_FirstDer = <BorderFlag.e_FirstDer: 2>¶
- e_Natural = <BorderFlag.e_Natural: 0>¶
- e_Periodic = <BorderFlag.e_Periodic: 1>¶
- property name¶
- class pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator¶
Bases:
pyrosetta.rosetta.numeric.interpolation.spline.Interpolator
- add_range(self: pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator, interp: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, lb: float, ub: float) None ¶
C++: numeric::interpolation::spline::CompoundInterpolator::add_range(class std::shared_ptr<class numeric::interpolation::spline::Interpolator>, double, double) –> void
- assign(self: pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator, : pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator) pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator ¶
C++: numeric::interpolation::spline::CompoundInterpolator::operator=(const class numeric::interpolation::spline::CompoundInterpolator &) –> class numeric::interpolation::spline::CompoundInterpolator &
- clone(self: pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator) pyrosetta.rosetta.numeric.interpolation.spline.Interpolator ¶
C++: numeric::interpolation::spline::CompoundInterpolator::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::Interpolator>
- compute_lb_function_solution(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, x: float, y: float) None ¶
compute the y value of the lower bound function given an x value
C++: numeric::interpolation::spline::Interpolator::compute_lb_function_solution(double, double &) const –> void
- compute_ub_function_solution(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, x: float, y: float) None ¶
compute the y value of the lower bound function given an x value
C++: numeric::interpolation::spline::Interpolator::compute_ub_function_solution(double, double &) const –> void
- deserialize(self: pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator, data: pyrosetta.rosetta.std.map_std_string_utility_json_spirit_Value_impl_utility_json_spirit_Config_map_std_string_t) None ¶
deserialize a json_spirit object to a Interpolator
C++: numeric::interpolation::spline::CompoundInterpolator::deserialize(class std::map<std::string, class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_map<std::string > >, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_map<std::string > > > > >) –> void
- get_lb_function_cutoff(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the lower bound cutoff
C++: numeric::interpolation::spline::Interpolator::get_lb_function_cutoff() const –> double
- get_lb_function_intercept(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the lower bound intercept
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_lb_function_intercept() const –> double
- get_lb_function_slope(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the lower bound slope
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_lb_function_slope() const –> double
- get_ub_function_cutoff(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the upper bound cutoff
C++: numeric::interpolation::spline::Interpolator::get_ub_function_cutoff() const –> double
- get_ub_function_intercept(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the upper bound intercept
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_ub_function_intercept() const –> double
- get_ub_function_slope(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the upper bound slope
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_ub_function_slope() const –> double
- has_lb_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) bool ¶
return true if the interpolator has a defined lower bound function
C++: numeric::interpolation::spline::Interpolator::has_lb_function() const –> bool
- has_ub_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) bool ¶
return false if the interpolator has a defined upper bound function
C++: numeric::interpolation::spline::Interpolator::has_ub_function() const –> bool
- interpolate(self: pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator, x: float, y: float, dy: float) None ¶
C++: numeric::interpolation::spline::CompoundInterpolator::interpolate(double, double &, double &) const –> void
- same_type_as_me(self: pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator, other: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) bool ¶
C++: numeric::interpolation::spline::CompoundInterpolator::same_type_as_me(const class numeric::interpolation::spline::Interpolator &) const –> bool
- serialize(self: pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator) pyrosetta.rosetta.utility.json_spirit.Value_impl_utility_json_spirit_Config_vector_std_string_t ¶
serialize the Interpolator to a json_spirit object
C++: numeric::interpolation::spline::CompoundInterpolator::serialize() const –> class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_vector<std::string > >
- set_lb_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, lb: float, slope: float, intercept: float) None ¶
set a linear function describing the behavior of the interpolator after a given lower bound. This lower bound can be distinct from the lb of the spline
C++: numeric::interpolation::spline::Interpolator::set_lb_function(const double &, const double &, const double &) –> void
- set_ub_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, ub: float, slope: float, intercept: float) None ¶
set a linear function describing the behavior of the interpolator after a given upper bound. This upper bound can be distinct from the ub of the spline
C++: numeric::interpolation::spline::Interpolator::set_ub_function(const double &, const double &, const double &) –> void
- class pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline¶
Bases:
pybind11_builtins.pybind11_object
- F(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline, ARGUMENT: float) float ¶
C++: numeric::interpolation::spline::CubicSpline::F(const double &) const –> double
- FdF(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline, ARGUMENT: float) Tuple[float, float] ¶
return value and derivative at ARGUMENT
x value
value and derivative at ARGUMENT
C++: numeric::interpolation::spline::CubicSpline::FdF(const double &) const –> struct std::pair<double, double>
- assign(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline, : pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline) pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline ¶
C++: numeric::interpolation::spline::CubicSpline::operator=(const class numeric::interpolation::spline::CubicSpline &) –> class numeric::interpolation::spline::CubicSpline &
- clone(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline) pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline ¶
copy constructor
C++: numeric::interpolation::spline::CubicSpline::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::CubicSpline>
- dF(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline, ARGUMENT: float) float ¶
return derivative at ARGUMENT
x value
derivative at ARGUMENT
C++: numeric::interpolation::spline::CubicSpline::dF(const double &) const –> double
- get_delta(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline) float ¶
access to the delta value
the distance between two support points of the spline
C++: numeric::interpolation::spline::CubicSpline::get_delta() const –> double
- get_dsecox(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline) pyrosetta.rosetta.numeric.MathVector_double_t ¶
get the second order derivatives of the spline
the second order derivatives at the support points of the spline
C++: numeric::interpolation::spline::CubicSpline::get_dsecox() const –> const class numeric::MathVector<double> &
- get_start(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline) float ¶
access to the start value
the start of the interval the spline is defined on
C++: numeric::interpolation::spline::CubicSpline::get_start() const –> double
- get_values(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline) pyrosetta.rosetta.numeric.MathVector_double_t ¶
access to the values
the function values at the support points of the spline
C++: numeric::interpolation::spline::CubicSpline::get_values() const –> const class numeric::MathVector<double> &
- sqr(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline, x: float) float ¶
C++: numeric::interpolation::spline::CubicSpline::sqr(const double) const –> double
- train(self: pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline, BORDER: pyrosetta.rosetta.numeric.interpolation.spline.BorderFlag, START: float, DELTA: float, RESULTS: pyrosetta.rosetta.numeric.MathVector_double_t, FIRSTBE: Tuple[float, float]) pyrosetta.rosetta.numeric.interpolation.spline.CubicSpline ¶
C++: numeric::interpolation::spline::CubicSpline::train(const enum numeric::interpolation::spline::BorderFlag, const double, const double, const class numeric::MathVector<double> &, const struct std::pair<double, double> &) –> class numeric::interpolation::spline::CubicSpline &
- class pyrosetta.rosetta.numeric.interpolation.spline.Interpolator¶
Bases:
pybind11_builtins.pybind11_object
- assign(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, : pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) pyrosetta.rosetta.numeric.interpolation.spline.Interpolator ¶
C++: numeric::interpolation::spline::Interpolator::operator=(const class numeric::interpolation::spline::Interpolator &) –> class numeric::interpolation::spline::Interpolator &
- clone(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) pyrosetta.rosetta.numeric.interpolation.spline.Interpolator ¶
C++: numeric::interpolation::spline::Interpolator::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::Interpolator>
- compute_lb_function_solution(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, x: float, y: float) None ¶
compute the y value of the lower bound function given an x value
C++: numeric::interpolation::spline::Interpolator::compute_lb_function_solution(double, double &) const –> void
- compute_ub_function_solution(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, x: float, y: float) None ¶
compute the y value of the lower bound function given an x value
C++: numeric::interpolation::spline::Interpolator::compute_ub_function_solution(double, double &) const –> void
- deserialize(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, data: pyrosetta.rosetta.std.map_std_string_utility_json_spirit_Value_impl_utility_json_spirit_Config_map_std_string_t) None ¶
deserialize a json_spirit object to a Interpolator
C++: numeric::interpolation::spline::Interpolator::deserialize(class std::map<std::string, class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_map<std::string > >, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_map<std::string > > > > >) –> void
- get_lb_function_cutoff(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the lower bound cutoff
C++: numeric::interpolation::spline::Interpolator::get_lb_function_cutoff() const –> double
- get_lb_function_intercept(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the lower bound intercept
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_lb_function_intercept() const –> double
- get_lb_function_slope(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the lower bound slope
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_lb_function_slope() const –> double
- get_ub_function_cutoff(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the upper bound cutoff
C++: numeric::interpolation::spline::Interpolator::get_ub_function_cutoff() const –> double
- get_ub_function_intercept(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the upper bound intercept
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_ub_function_intercept() const –> double
- get_ub_function_slope(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the upper bound slope
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_ub_function_slope() const –> double
- has_lb_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) bool ¶
return true if the interpolator has a defined lower bound function
C++: numeric::interpolation::spline::Interpolator::has_lb_function() const –> bool
- has_ub_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) bool ¶
return false if the interpolator has a defined upper bound function
C++: numeric::interpolation::spline::Interpolator::has_ub_function() const –> bool
- interpolate(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, x: float, y: float, dy: float) None ¶
C++: numeric::interpolation::spline::Interpolator::interpolate(double, double &, double &) const –> void
- same_type_as_me(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, other: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) bool ¶
C++: numeric::interpolation::spline::Interpolator::same_type_as_me(const class numeric::interpolation::spline::Interpolator &) const –> bool
- serialize(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) pyrosetta.rosetta.utility.json_spirit.Value_impl_utility_json_spirit_Config_vector_std_string_t ¶
serialize the Interpolator to a json_spirit object
C++: numeric::interpolation::spline::Interpolator::serialize() const –> class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_vector<std::string > >
- set_lb_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, lb: float, slope: float, intercept: float) None ¶
set a linear function describing the behavior of the interpolator after a given lower bound. This lower bound can be distinct from the lb of the spline
C++: numeric::interpolation::spline::Interpolator::set_lb_function(const double &, const double &, const double &) –> void
- set_ub_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, ub: float, slope: float, intercept: float) None ¶
set a linear function describing the behavior of the interpolator after a given upper bound. This upper bound can be distinct from the ub of the spline
C++: numeric::interpolation::spline::Interpolator::set_ub_function(const double &, const double &, const double &) –> void
- class pyrosetta.rosetta.numeric.interpolation.spline.LinearFunction¶
Bases:
pybind11_builtins.pybind11_object
- property cutoff¶
- property intercept¶
- property slope¶
- class pyrosetta.rosetta.numeric.interpolation.spline.Point¶
Bases:
pybind11_builtins.pybind11_object
- property dy¶
- property has_dy¶
- property x¶
- property y¶
- class pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase¶
Bases:
pybind11_builtins.pybind11_object
- assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase, : pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase) pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase ¶
C++: numeric::interpolation::spline::PolycubicSplineBase::operator=(const class numeric::interpolation::spline::PolycubicSplineBase &) –> class numeric::interpolation::spline::PolycubicSplineBase &
- clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase) pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase ¶
Pure virtual clone() function: returns an owning pointer to a copy of this object.
Must be implemented by derived classes.
C++: numeric::interpolation::spline::PolycubicSplineBase::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::PolycubicSplineBase>
- dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase) int ¶
Get the dimensionality of the derived class.
Needed to allow pointer casts.
C++: numeric::interpolation::spline::PolycubicSplineBase::dimensionality() const –> unsigned long
- class pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator¶
Bases:
pyrosetta.rosetta.numeric.interpolation.spline.Interpolator
- assign(self: pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator, : pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator) pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator ¶
C++: numeric::interpolation::spline::SimpleInterpolator::operator=(const class numeric::interpolation::spline::SimpleInterpolator &) –> class numeric::interpolation::spline::SimpleInterpolator &
- clone(self: pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator) pyrosetta.rosetta.numeric.interpolation.spline.Interpolator ¶
C++: numeric::interpolation::spline::SimpleInterpolator::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::Interpolator>
- compute_lb_function_solution(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, x: float, y: float) None ¶
compute the y value of the lower bound function given an x value
C++: numeric::interpolation::spline::Interpolator::compute_lb_function_solution(double, double &) const –> void
- compute_ub_function_solution(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, x: float, y: float) None ¶
compute the y value of the lower bound function given an x value
C++: numeric::interpolation::spline::Interpolator::compute_ub_function_solution(double, double &) const –> void
- ddy(self: pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator) pyrosetta.rosetta.utility.vector1_double ¶
accessors for the second derivative values specified for each knot
C++: numeric::interpolation::spline::SimpleInterpolator::ddy() const –> const class utility::vector1<double, class std::allocator<double> > &
- deserialize(self: pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator, data: pyrosetta.rosetta.std.map_std_string_utility_json_spirit_Value_impl_utility_json_spirit_Config_map_std_string_t) None ¶
deserialize a json_spirit object to a Interpolator
C++: numeric::interpolation::spline::SimpleInterpolator::deserialize(class std::map<std::string, class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_map<std::string > >, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_map<std::string > > > > >) –> void
- get_lb_function_cutoff(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the lower bound cutoff
C++: numeric::interpolation::spline::Interpolator::get_lb_function_cutoff() const –> double
- get_lb_function_intercept(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the lower bound intercept
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_lb_function_intercept() const –> double
- get_lb_function_slope(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the lower bound slope
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_lb_function_slope() const –> double
- get_ub_function_cutoff(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the upper bound cutoff
C++: numeric::interpolation::spline::Interpolator::get_ub_function_cutoff() const –> double
- get_ub_function_intercept(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the upper bound intercept
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_ub_function_intercept() const –> double
- get_ub_function_slope(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) float ¶
get the upper bound slope
Vikram K. Mulligan (vmulligan.org).
C++: numeric::interpolation::spline::Interpolator::get_ub_function_slope() const –> double
- has_lb_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) bool ¶
return true if the interpolator has a defined lower bound function
C++: numeric::interpolation::spline::Interpolator::has_lb_function() const –> bool
- has_ub_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) bool ¶
return false if the interpolator has a defined upper bound function
C++: numeric::interpolation::spline::Interpolator::has_ub_function() const –> bool
- interpolate(self: pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator, x: float, y: float, dy: float) None ¶
C++: numeric::interpolation::spline::SimpleInterpolator::interpolate(double, double &, double &) const –> void
- same_type_as_me(self: pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator, other: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator) bool ¶
C++: numeric::interpolation::spline::SimpleInterpolator::same_type_as_me(const class numeric::interpolation::spline::Interpolator &) const –> bool
- serialize(self: pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator) pyrosetta.rosetta.utility.json_spirit.Value_impl_utility_json_spirit_Config_vector_std_string_t ¶
serialize the Interpolator to a json_spirit object
C++: numeric::interpolation::spline::SimpleInterpolator::serialize() const –> class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_vector<std::string > >
- set_lb_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, lb: float, slope: float, intercept: float) None ¶
set a linear function describing the behavior of the interpolator after a given lower bound. This lower bound can be distinct from the lb of the spline
C++: numeric::interpolation::spline::Interpolator::set_lb_function(const double &, const double &, const double &) –> void
- set_ub_function(self: pyrosetta.rosetta.numeric.interpolation.spline.Interpolator, ub: float, slope: float, intercept: float) None ¶
set a linear function describing the behavior of the interpolator after a given upper bound. This upper bound can be distinct from the ub of the spline
C++: numeric::interpolation::spline::Interpolator::set_ub_function(const double &, const double &, const double &) –> void
- x(self: pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator) pyrosetta.rosetta.utility.vector1_double ¶
accessor for the x-values defining the interpolation knots
C++: numeric::interpolation::spline::SimpleInterpolator::x() const –> const class utility::vector1<double, class std::allocator<double> > &
- y(self: pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator) pyrosetta.rosetta.utility.vector1_double ¶
accessor for the y-values specified for each knot
C++: numeric::interpolation::spline::SimpleInterpolator::y() const –> const class utility::vector1<double, class std::allocator<double> > &
- class pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator¶
Bases:
pybind11_builtins.pybind11_object
- add_boundary_function(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator, tag: str, cutoff: float, slope: float, intercept: float) None ¶
C++: numeric::interpolation::spline::SplineGenerator::add_boundary_function(const std::string &, const double &, const double &, const double &) –> void
- add_known_value(*args, **kwargs)¶
Overloaded function.
add_known_value(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator, x: float, y: float) -> None
C++: numeric::interpolation::spline::SplineGenerator::add_known_value(double, double) –> void
add_known_value(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator, x: float, y: float, dy: float) -> None
C++: numeric::interpolation::spline::SplineGenerator::add_known_value(double, double, double) –> void
- get_boundary_functions(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator) pyrosetta.rosetta.std.map_std_string_numeric_interpolation_spline_LinearFunction ¶
C++: numeric::interpolation::spline::SplineGenerator::get_boundary_functions() const –> const class std::map<std::string, struct numeric::interpolation::spline::LinearFunction, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, struct numeric::interpolation::spline::LinearFunction> > > &
- get_interpolator(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator) pyrosetta.rosetta.numeric.interpolation.spline.Interpolator ¶
C++: numeric::interpolation::spline::SplineGenerator::get_interpolator() –> class std::shared_ptr<class numeric::interpolation::spline::Interpolator>
- get_lbdy(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator) float ¶
C++: numeric::interpolation::spline::SplineGenerator::get_lbdy() const –> double
- get_lbx(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator) float ¶
C++: numeric::interpolation::spline::SplineGenerator::get_lbx() const –> double
- get_lby(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator) float ¶
C++: numeric::interpolation::spline::SplineGenerator::get_lby() const –> double
- get_num_points(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator) int ¶
C++: numeric::interpolation::spline::SplineGenerator::get_num_points() const –> unsigned long
- get_points(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator) pyrosetta.rosetta.utility.vector1_numeric_interpolation_spline_Point ¶
C++: numeric::interpolation::spline::SplineGenerator::get_points() const –> const class utility::vector1<struct numeric::interpolation::spline::Point, class std::allocator<struct numeric::interpolation::spline::Point> > &
- get_ubdy(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator) float ¶
C++: numeric::interpolation::spline::SplineGenerator::get_ubdy() const –> double
- get_ubx(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator) float ¶
C++: numeric::interpolation::spline::SplineGenerator::get_ubx() const –> double
- get_uby(self: pyrosetta.rosetta.numeric.interpolation.spline.SplineGenerator) float ¶
C++: numeric::interpolation::spline::SplineGenerator::get_uby() const –> double
- class pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline¶
Bases:
pybind11_builtins.pybind11_object
- Clone(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline) pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline ¶
copy constructor
C++: numeric::interpolation::spline::TricubicSpline::Clone() const –> class numeric::interpolation::spline::TricubicSpline *
- F(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline, x: float, y: float, z: float) float ¶
value at (x, y)
C++: numeric::interpolation::spline::TricubicSpline::F(double, double, double) const –> double
- dFdx(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline, x: float, y: float, z: float) float ¶
partial derivative at (x, y, z) for x
C++: numeric::interpolation::spline::TricubicSpline::dFdx(double, double, double) const –> double
- dFdy(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline, x: float, y: float, z: float) float ¶
partial derivative at (x, y, z) for y
C++: numeric::interpolation::spline::TricubicSpline::dFdy(double, double, double) const –> double
- dFdz(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline, x: float, y: float, z: float) float ¶
partial derivative at (x, y, z) for z
C++: numeric::interpolation::spline::TricubicSpline::dFdz(double, double, double) const –> double
- get_dsecox(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline) pyrosetta.rosetta.numeric.MathTensor_double_t ¶
get the second order derivatives of the spline
C++: numeric::interpolation::spline::TricubicSpline::get_dsecox() const –> const class numeric::MathTensor<double> &
- get_dsecoxy(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline) pyrosetta.rosetta.numeric.MathTensor_double_t ¶
C++: numeric::interpolation::spline::TricubicSpline::get_dsecoxy() const –> const class numeric::MathTensor<double> &
- get_dsecoxyz(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline) pyrosetta.rosetta.numeric.MathTensor_double_t ¶
C++: numeric::interpolation::spline::TricubicSpline::get_dsecoxyz() const –> const class numeric::MathTensor<double> &
- get_dsecoxz(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline) pyrosetta.rosetta.numeric.MathTensor_double_t ¶
C++: numeric::interpolation::spline::TricubicSpline::get_dsecoxz() const –> const class numeric::MathTensor<double> &
- get_dsecoy(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline) pyrosetta.rosetta.numeric.MathTensor_double_t ¶
C++: numeric::interpolation::spline::TricubicSpline::get_dsecoy() const –> const class numeric::MathTensor<double> &
- get_dsecoyz(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline) pyrosetta.rosetta.numeric.MathTensor_double_t ¶
C++: numeric::interpolation::spline::TricubicSpline::get_dsecoyz() const –> const class numeric::MathTensor<double> &
- get_dsecoz(self: pyrosetta.rosetta.numeric.interpolation.spline.TricubicSpline) pyrosetta.rosetta.numeric.MathTensor_double_t ¶
C++: numeric::interpolation::spline::TricubicSpline::get_dsecoz() const –> const class numeric::MathTensor<double> &
- pyrosetta.rosetta.numeric.interpolation.spline.deep_copy(*args, **kwargs)¶
Overloaded function.
deep_copy(: numeric::interpolation::spline::PolycubicSplineBase) -> numeric::interpolation::spline::PolycubicSplineBase
C++: numeric::interpolation::spline::deep_copy(const class numeric::interpolation::spline::PolycubicSplineBase &) –> class std::shared_ptr<class numeric::interpolation::spline::PolycubicSplineBase>
deep_copy(source: numeric::interpolation::spline::BicubicSpline) -> numeric::interpolation::spline::BicubicSpline
C++: numeric::interpolation::spline::deep_copy(const class numeric::interpolation::spline::BicubicSpline &) –> class std::shared_ptr<class numeric::interpolation::spline::BicubicSpline>
deep_copy(: numeric::interpolation::spline::CubicSpline) -> numeric::interpolation::spline::CubicSpline
C++: numeric::interpolation::spline::deep_copy(const class numeric::interpolation::spline::CubicSpline &) –> class std::shared_ptr<class numeric::interpolation::spline::CubicSpline>
- pyrosetta.rosetta.numeric.interpolation.spline.get_PolycubicSpline_F(splinebase: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase, coords: pyrosetta.rosetta.utility.vector1_double) float ¶
Given a PolycubicSplineBase and a set of coordinates, call PolycubicSpline<N>::F and return the value.
Convenience function to hide the switch/case logic. Only works for PolycubicSplines of dimensionality 3 through 9.
Vikram K. Mulligan (vmullig.edu).
C++: numeric::interpolation::spline::get_PolycubicSpline_F(class std::shared_ptr<const class numeric::interpolation::spline::PolycubicSplineBase>, const class utility::vector1<double, class std::allocator<double> > &) –> double
- pyrosetta.rosetta.numeric.interpolation.spline.get_PolycubicSpline_gradient(splinebase: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase, coords: pyrosetta.rosetta.utility.vector1_double, gradient_out: pyrosetta.rosetta.utility.vector1_double) None ¶
Given a PolycubicSplineBase and a set of coordinates, call PolycubicSpline<N>::dFdall and return the value.
Convenience function to hide the switch/case logic. Only works for PolycubicSplines of dimensionality 3 through 9.
Vikram K. Mulligan (vmullig.edu).
C++: numeric::interpolation::spline::get_PolycubicSpline_gradient(class std::shared_ptr<const class numeric::interpolation::spline::PolycubicSplineBase>, const class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void
- pyrosetta.rosetta.numeric.interpolation.spline.hokey_template_workaround() None ¶
- Dummy function, never to be called. This is only here to ensure that the compiler creates
PolycubicSpline<3> through PolycubicSpline<9> classes.
C++: numeric::interpolation::spline::hokey_template_workaround() –> void
- class pyrosetta.rosetta.numeric.interpolation.spline.interp_range¶
Bases:
pybind11_builtins.pybind11_object
- property interp¶
- property lb¶
- property ub¶
- pyrosetta.rosetta.numeric.interpolation.spline.spline_interpolate(xa: pyrosetta.rosetta.utility.vector1_double, ya: pyrosetta.rosetta.utility.vector1_double, y2a: pyrosetta.rosetta.utility.vector1_double, x: float, y: float, dy: float) None ¶
C++: numeric::interpolation::spline::spline_interpolate(const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, double, double &, double &) –> void
- pyrosetta.rosetta.numeric.interpolation.spline.spline_second_derivative(x: pyrosetta.rosetta.utility.vector1_double, y: pyrosetta.rosetta.utility.vector1_double, yp1: float, ypn: float) pyrosetta.rosetta.utility.vector1_double ¶
C++: numeric::interpolation::spline::spline_second_derivative(const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, double, double) –> class utility::vector1<double, class std::allocator<double> >
- pyrosetta.rosetta.numeric.interpolation.spline.sqr(x: float) float ¶
C++: numeric::interpolation::spline::sqr(double) –> double