spline

Bindings for numeric::interpolation::spline namespace

class pyrosetta.rosetta.numeric.interpolation.spline.BicubicSpline

Bases: 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.

1. 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

2. 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.

1. 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

2. 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.

1. 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

2. 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_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

property value

class pyrosetta.rosetta.numeric.interpolation.spline.CompoundInterpolator

Bases: 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_std_allocator_std_pair_const_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_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_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_std_allocator_std_pair_const_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_object

property cutoff

property intercept

property slope

class pyrosetta.rosetta.numeric.interpolation.spline.Point

Bases: pybind11_object

property dy

property has_dy

property x

property y

class pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase

Bases: 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.PolycubicSpline_1_t

Bases: PolycubicSplineBase

F(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t, : pyrosetta.rosetta.utility.fixedsizearray1_double_1_t) → float

value at (x1, x2, … xn)

C++: numeric::interpolation::spline::PolycubicSpline<1>::F(const class utility::fixedsizearray1<double, 1> &) const –> double

assign(*args, **kwargs)

Overloaded function.

1. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t, : pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t

C++: numeric::interpolation::spline::PolycubicSpline<1>::operator=(const class numeric::interpolation::spline::PolycubicSpline<1> &) –> class numeric::interpolation::spline::PolycubicSpline<1> &

2. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t, : 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(*args, **kwargs)

Overloaded function.

1. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase

Implementation of pure virtual clone() function from base class: returns an owning

pointer to a copy of this object.

C++: numeric::interpolation::spline::PolycubicSpline<1>::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::PolycubicSplineBase>

2. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t) -> 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>

dFdall(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t, : pyrosetta.rosetta.utility.fixedsizearray1_double_1_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_1_t

partial derivatives at (x1, x2, … xn)

C++: numeric::interpolation::spline::PolycubicSpline<1>::dFdall(const class utility::fixedsizearray1<double, 1> &) const –> class utility::fixedsizearray1<double, 1>

dFdxi(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t, : int, : pyrosetta.rosetta.utility.fixedsizearray1_double_1_t) → float

partial derivative at (x1, x2, … xn) for var i

C++: numeric::interpolation::spline::PolycubicSpline<1>::dFdxi(unsigned long, const class utility::fixedsizearray1<double, 1> &) const –> double

dimensionality(*args, **kwargs)

Overloaded function.

1. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t) -> int

Get the dimensionality.

C++: numeric::interpolation::spline::PolycubicSpline<1>::dimensionality() const –> unsigned long

2. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t) -> int

Get the dimensionality of the derived class.

Needed to allow pointer casts.

C++: numeric::interpolation::spline::PolycubicSplineBase::dimensionality() const –> unsigned long

get_all_derivs(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t, : pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_1_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_2_t

C++: numeric::interpolation::spline::PolycubicSpline<1>::get_all_derivs(class utility::fixedsizearray1<unsigned long, 1> &) –> class utility::fixedsizearray1<double, 2>

get_deriv(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t, n: int) → pyrosetta.rosetta.numeric.MathNTensor_double_1_t

get the second order derivatives of the spline

for 3 dimensions, you would pass 1-8 and get values, z, y, yz, x, xz, xy, xyz

C++: numeric::interpolation::spline::PolycubicSpline<1>::get_deriv(unsigned long) const –> const class numeric::MathNTensor<double, 1> &

train(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_1_t, : pyrosetta.rosetta.utility.fixedsizearray1_numeric_interpolation_spline_BorderFlag_1_t, : pyrosetta.rosetta.utility.fixedsizearray1_double_1_t, : pyrosetta.rosetta.utility.fixedsizearray1_double_1_t, : pyrosetta.rosetta.numeric.MathNTensor_double_1_t, : pyrosetta.rosetta.utility.fixedsizearray1_bool_1_t, : pyrosetta.rosetta.utility.fixedsizearray1_std_pair_double_double_1_t) → None

C++: numeric::interpolation::spline::PolycubicSpline<1>::train(const class utility::fixedsizearray1<enum numeric::interpolation::spline::BorderFlag, 1> &, const class utility::fixedsizearray1<double, 1> &, const class utility::fixedsizearray1<double, 1> &, const class numeric::MathNTensor<double, 1> &, const class utility::fixedsizearray1<bool, 1> &, const class utility::fixedsizearray1<struct std::pair<double, double>, 1> &) –> void

class pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t

Bases: PolycubicSplineBase

F(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t, : pyrosetta.rosetta.utility.fixedsizearray1_double_2_t) → float

value at (x1, x2, … xn)

C++: numeric::interpolation::spline::PolycubicSpline<2>::F(const class utility::fixedsizearray1<double, 2> &) const –> double

assign(*args, **kwargs)

Overloaded function.

1. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t, : pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t

C++: numeric::interpolation::spline::PolycubicSpline<2>::operator=(const class numeric::interpolation::spline::PolycubicSpline<2> &) –> class numeric::interpolation::spline::PolycubicSpline<2> &

2. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t, : 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(*args, **kwargs)

Overloaded function.

1. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase

Implementation of pure virtual clone() function from base class: returns an owning

pointer to a copy of this object.

C++: numeric::interpolation::spline::PolycubicSpline<2>::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::PolycubicSplineBase>

2. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t) -> 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>

dFdall(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t, : pyrosetta.rosetta.utility.fixedsizearray1_double_2_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_2_t

partial derivatives at (x1, x2, … xn)

C++: numeric::interpolation::spline::PolycubicSpline<2>::dFdall(const class utility::fixedsizearray1<double, 2> &) const –> class utility::fixedsizearray1<double, 2>

dFdxi(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t, : int, : pyrosetta.rosetta.utility.fixedsizearray1_double_2_t) → float

partial derivative at (x1, x2, … xn) for var i

C++: numeric::interpolation::spline::PolycubicSpline<2>::dFdxi(unsigned long, const class utility::fixedsizearray1<double, 2> &) const –> double

dimensionality(*args, **kwargs)

Overloaded function.

1. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t) -> int

Get the dimensionality.

C++: numeric::interpolation::spline::PolycubicSpline<2>::dimensionality() const –> unsigned long

2. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t) -> int

Get the dimensionality of the derived class.

Needed to allow pointer casts.

C++: numeric::interpolation::spline::PolycubicSplineBase::dimensionality() const –> unsigned long

get_all_derivs(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t, : pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_2_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_4_t

C++: numeric::interpolation::spline::PolycubicSpline<2>::get_all_derivs(class utility::fixedsizearray1<unsigned long, 2> &) –> class utility::fixedsizearray1<double, 4>

get_deriv(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t, n: int) → pyrosetta.rosetta.numeric.MathNTensor_double_2_t

get the second order derivatives of the spline

for 3 dimensions, you would pass 1-8 and get values, z, y, yz, x, xz, xy, xyz

C++: numeric::interpolation::spline::PolycubicSpline<2>::get_deriv(unsigned long) const –> const class numeric::MathNTensor<double, 2> &

train(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_2_t, : pyrosetta.rosetta.utility.fixedsizearray1_numeric_interpolation_spline_BorderFlag_2_t, : pyrosetta.rosetta.utility.fixedsizearray1_double_2_t, : pyrosetta.rosetta.utility.fixedsizearray1_double_2_t, : pyrosetta.rosetta.numeric.MathNTensor_double_2_t, : pyrosetta.rosetta.utility.fixedsizearray1_bool_2_t, : pyrosetta.rosetta.utility.fixedsizearray1_std_pair_double_double_2_t) → None

C++: numeric::interpolation::spline::PolycubicSpline<2>::train(const class utility::fixedsizearray1<enum numeric::interpolation::spline::BorderFlag, 2> &, const class utility::fixedsizearray1<double, 2> &, const class utility::fixedsizearray1<double, 2> &, class numeric::MathNTensor<double, 2> &, const class utility::fixedsizearray1<bool, 2> &, const class utility::fixedsizearray1<struct std::pair<double, double>, 2> &) –> void

class pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t

Bases: PolycubicSplineBase

F(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t) → float

C++: numeric::interpolation::spline::PolycubicSpline<3>::F(const class utility::fixedsizearray1<double, 3> &) const –> double

assign(*args, **kwargs)

Overloaded function.

1. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t, : pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t

C++: numeric::interpolation::spline::PolycubicSpline<3>::operator=(const class numeric::interpolation::spline::PolycubicSpline<3> &) –> class numeric::interpolation::spline::PolycubicSpline<3> &

2. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t, : 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(*args, **kwargs)

Overloaded function.

1. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase

C++: numeric::interpolation::spline::PolycubicSpline<3>::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::PolycubicSplineBase>

2. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t) -> 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>

dFdall(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_3_t

C++: numeric::interpolation::spline::PolycubicSpline<3>::dFdall(const class utility::fixedsizearray1<double, 3> &) const –> class utility::fixedsizearray1<double, 3>

dFdxi(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t, n: int, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t) → float

C++: numeric::interpolation::spline::PolycubicSpline<3>::dFdxi(unsigned long, const class utility::fixedsizearray1<double, 3> &) const –> double

dimensionality(*args, **kwargs)

Overloaded function.

1. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t) -> int

C++: numeric::interpolation::spline::PolycubicSpline<3>::dimensionality() const –> unsigned long

2. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t) -> int

Get the dimensionality of the derived class.

Needed to allow pointer casts.

C++: numeric::interpolation::spline::PolycubicSplineBase::dimensionality() const –> unsigned long

get_all_derivs(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t, indices: pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_3_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_8_t

C++: numeric::interpolation::spline::PolycubicSpline<3>::get_all_derivs(const class utility::fixedsizearray1<unsigned long, 3> &) –> class utility::fixedsizearray1<double, 8>

get_deriv(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t, n: int) → pyrosetta.rosetta.numeric.MathNTensor_double_3_t

C++: numeric::interpolation::spline::PolycubicSpline<3>::get_deriv(unsigned long) const –> const class numeric::MathNTensor<double, 3> &

train(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_3_t, BORDER: pyrosetta.rosetta.utility.fixedsizearray1_numeric_interpolation_spline_BorderFlag_3_t, START: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t, DELTA: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t, RESULTS: pyrosetta.rosetta.numeric.MathNTensor_double_3_t, LINCONT: pyrosetta.rosetta.utility.fixedsizearray1_bool_3_t, FIRSTBE: pyrosetta.rosetta.utility.fixedsizearray1_std_pair_double_double_3_t) → None

C++: numeric::interpolation::spline::PolycubicSpline<3>::train(const class utility::fixedsizearray1<enum numeric::interpolation::spline::BorderFlag, 3> &, const class utility::fixedsizearray1<double, 3> &, const class utility::fixedsizearray1<double, 3> &, const class numeric::MathNTensor<double, 3> &, const class utility::fixedsizearray1<bool, 3> &, const class utility::fixedsizearray1<struct std::pair<double, double>, 3> &) –> void

class pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t

Bases: PolycubicSplineBase

F(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_4_t) → float

C++: numeric::interpolation::spline::PolycubicSpline<4>::F(const class utility::fixedsizearray1<double, 4> &) const –> double

assign(*args, **kwargs)

Overloaded function.

1. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t, : pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t

C++: numeric::interpolation::spline::PolycubicSpline<4>::operator=(const class numeric::interpolation::spline::PolycubicSpline<4> &) –> class numeric::interpolation::spline::PolycubicSpline<4> &

2. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t, : 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(*args, **kwargs)

Overloaded function.

1. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase

C++: numeric::interpolation::spline::PolycubicSpline<4>::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::PolycubicSplineBase>

2. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t) -> 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>

dFdall(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_4_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_4_t

C++: numeric::interpolation::spline::PolycubicSpline<4>::dFdall(const class utility::fixedsizearray1<double, 4> &) const –> class utility::fixedsizearray1<double, 4>

dFdxi(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t, n: int, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_4_t) → float

C++: numeric::interpolation::spline::PolycubicSpline<4>::dFdxi(unsigned long, const class utility::fixedsizearray1<double, 4> &) const –> double

dimensionality(*args, **kwargs)

Overloaded function.

1. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t) -> int

C++: numeric::interpolation::spline::PolycubicSpline<4>::dimensionality() const –> unsigned long

2. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t) -> int

Get the dimensionality of the derived class.

Needed to allow pointer casts.

C++: numeric::interpolation::spline::PolycubicSplineBase::dimensionality() const –> unsigned long

get_all_derivs(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t, indices: pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_4_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_16_t

C++: numeric::interpolation::spline::PolycubicSpline<4>::get_all_derivs(const class utility::fixedsizearray1<unsigned long, 4> &) –> class utility::fixedsizearray1<double, 16>

get_deriv(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t, n: int) → pyrosetta.rosetta.numeric.MathNTensor_double_4_t

C++: numeric::interpolation::spline::PolycubicSpline<4>::get_deriv(unsigned long) const –> const class numeric::MathNTensor<double, 4> &

train(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_4_t, BORDER: pyrosetta.rosetta.utility.fixedsizearray1_numeric_interpolation_spline_BorderFlag_4_t, START: pyrosetta.rosetta.utility.fixedsizearray1_double_4_t, DELTA: pyrosetta.rosetta.utility.fixedsizearray1_double_4_t, RESULTS: pyrosetta.rosetta.numeric.MathNTensor_double_4_t, LINCONT: pyrosetta.rosetta.utility.fixedsizearray1_bool_4_t, FIRSTBE: pyrosetta.rosetta.utility.fixedsizearray1_std_pair_double_double_4_t) → None

C++: numeric::interpolation::spline::PolycubicSpline<4>::train(const class utility::fixedsizearray1<enum numeric::interpolation::spline::BorderFlag, 4> &, const class utility::fixedsizearray1<double, 4> &, const class utility::fixedsizearray1<double, 4> &, const class numeric::MathNTensor<double, 4> &, const class utility::fixedsizearray1<bool, 4> &, const class utility::fixedsizearray1<struct std::pair<double, double>, 4> &) –> void

class pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t

Bases: PolycubicSplineBase

F(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_5_t) → float

C++: numeric::interpolation::spline::PolycubicSpline<5>::F(const class utility::fixedsizearray1<double, 5> &) const –> double

assign(*args, **kwargs)

Overloaded function.

1. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t, : pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t

C++: numeric::interpolation::spline::PolycubicSpline<5>::operator=(const class numeric::interpolation::spline::PolycubicSpline<5> &) –> class numeric::interpolation::spline::PolycubicSpline<5> &

2. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t, : 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(*args, **kwargs)

Overloaded function.

1. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase

C++: numeric::interpolation::spline::PolycubicSpline<5>::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::PolycubicSplineBase>

2. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t) -> 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>

dFdall(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_5_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_5_t

C++: numeric::interpolation::spline::PolycubicSpline<5>::dFdall(const class utility::fixedsizearray1<double, 5> &) const –> class utility::fixedsizearray1<double, 5>

dFdxi(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t, n: int, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_5_t) → float

C++: numeric::interpolation::spline::PolycubicSpline<5>::dFdxi(unsigned long, const class utility::fixedsizearray1<double, 5> &) const –> double

dimensionality(*args, **kwargs)

Overloaded function.

1. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t) -> int

C++: numeric::interpolation::spline::PolycubicSpline<5>::dimensionality() const –> unsigned long

2. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t) -> int

Get the dimensionality of the derived class.

Needed to allow pointer casts.

C++: numeric::interpolation::spline::PolycubicSplineBase::dimensionality() const –> unsigned long

get_all_derivs(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t, indices: pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_5_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_32_t

C++: numeric::interpolation::spline::PolycubicSpline<5>::get_all_derivs(const class utility::fixedsizearray1<unsigned long, 5> &) –> class utility::fixedsizearray1<double, 32>

get_deriv(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t, n: int) → pyrosetta.rosetta.numeric.MathNTensor_double_5_t

C++: numeric::interpolation::spline::PolycubicSpline<5>::get_deriv(unsigned long) const –> const class numeric::MathNTensor<double, 5> &

train(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_5_t, BORDER: pyrosetta.rosetta.utility.fixedsizearray1_numeric_interpolation_spline_BorderFlag_5_t, START: pyrosetta.rosetta.utility.fixedsizearray1_double_5_t, DELTA: pyrosetta.rosetta.utility.fixedsizearray1_double_5_t, RESULTS: pyrosetta.rosetta.numeric.MathNTensor_double_5_t, LINCONT: pyrosetta.rosetta.utility.fixedsizearray1_bool_5_t, FIRSTBE: pyrosetta.rosetta.utility.fixedsizearray1_std_pair_double_double_5_t) → None

C++: numeric::interpolation::spline::PolycubicSpline<5>::train(const class utility::fixedsizearray1<enum numeric::interpolation::spline::BorderFlag, 5> &, const class utility::fixedsizearray1<double, 5> &, const class utility::fixedsizearray1<double, 5> &, const class numeric::MathNTensor<double, 5> &, const class utility::fixedsizearray1<bool, 5> &, const class utility::fixedsizearray1<struct std::pair<double, double>, 5> &) –> void

class pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t

Bases: PolycubicSplineBase

F(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_6_t) → float

C++: numeric::interpolation::spline::PolycubicSpline<6>::F(const class utility::fixedsizearray1<double, 6> &) const –> double

assign(*args, **kwargs)

Overloaded function.

1. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t, : pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t

C++: numeric::interpolation::spline::PolycubicSpline<6>::operator=(const class numeric::interpolation::spline::PolycubicSpline<6> &) –> class numeric::interpolation::spline::PolycubicSpline<6> &

2. assign(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t, : 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(*args, **kwargs)

Overloaded function.

1. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t) -> pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase

C++: numeric::interpolation::spline::PolycubicSpline<6>::clone() const –> class std::shared_ptr<class numeric::interpolation::spline::PolycubicSplineBase>

2. clone(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t) -> 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>

dFdall(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_6_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_6_t

C++: numeric::interpolation::spline::PolycubicSpline<6>::dFdall(const class utility::fixedsizearray1<double, 6> &) const –> class utility::fixedsizearray1<double, 6>

dFdxi(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t, n: int, xs: pyrosetta.rosetta.utility.fixedsizearray1_double_6_t) → float

C++: numeric::interpolation::spline::PolycubicSpline<6>::dFdxi(unsigned long, const class utility::fixedsizearray1<double, 6> &) const –> double

dimensionality(*args, **kwargs)

Overloaded function.

1. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t) -> int

C++: numeric::interpolation::spline::PolycubicSpline<6>::dimensionality() const –> unsigned long

2. dimensionality(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t) -> int

Get the dimensionality of the derived class.

Needed to allow pointer casts.

C++: numeric::interpolation::spline::PolycubicSplineBase::dimensionality() const –> unsigned long

get_all_derivs(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t, indices: pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_6_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_64_t

C++: numeric::interpolation::spline::PolycubicSpline<6>::get_all_derivs(const class utility::fixedsizearray1<unsigned long, 6> &) –> class utility::fixedsizearray1<double, 64>

get_deriv(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t, n: int) → pyrosetta.rosetta.numeric.MathNTensor_double_6_t

C++: numeric::interpolation::spline::PolycubicSpline<6>::get_deriv(unsigned long) const –> const class numeric::MathNTensor<double, 6> &

train(self: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSpline_6_t, BORDER: pyrosetta.rosetta.utility.fixedsizearray1_numeric_interpolation_spline_BorderFlag_6_t, START: pyrosetta.rosetta.utility.fixedsizearray1_double_6_t, DELTA: pyrosetta.rosetta.utility.fixedsizearray1_double_6_t, RESULTS: pyrosetta.rosetta.numeric.MathNTensor_double_6_t, LINCONT: pyrosetta.rosetta.utility.fixedsizearray1_bool_6_t, FIRSTBE: pyrosetta.rosetta.utility.fixedsizearray1_std_pair_double_double_6_t) → None

C++: numeric::interpolation::spline::PolycubicSpline<6>::train(const class utility::fixedsizearray1<enum numeric::interpolation::spline::BorderFlag, 6> &, const class utility::fixedsizearray1<double, 6> &, const class utility::fixedsizearray1<double, 6> &, const class numeric::MathNTensor<double, 6> &, const class utility::fixedsizearray1<bool, 6> &, const class utility::fixedsizearray1<struct std::pair<double, double>, 6> &) –> void

class pyrosetta.rosetta.numeric.interpolation.spline.SimpleInterpolator

Bases: 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_std_allocator_std_pair_const_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_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.

1. 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

2. 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_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.

1. 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>

2. 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>

3. 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_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