func

Bindings for core::scoring::func namespace

class pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

function of type y = 0.5 * k * (1 - cos(n * (x - x0) ) )

assign(self: pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc, : pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc) pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc

C++: core::scoring::func::AmberPeriodicFunc::operator=(const class core::scoring::func::AmberPeriodicFunc &) –> class core::scoring::func::AmberPeriodicFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::AmberPeriodicFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc, x: float) float

C++: core::scoring::func::AmberPeriodicFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc, x: float) float

C++: core::scoring::func::AmberPeriodicFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::AmberPeriodicFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::AmberPeriodicFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::AmberPeriodicFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.AmberPeriodicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::AmberPeriodicFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

function of type y = 0.5 * k * (1 - cos(n * (x - x0) ) )

assign(self: pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc, : pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc) pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc

C++: core::scoring::func::CharmmPeriodicFunc::operator=(const class core::scoring::func::CharmmPeriodicFunc &) –> class core::scoring::func::CharmmPeriodicFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::CharmmPeriodicFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc, x: float) float

C++: core::scoring::func::CharmmPeriodicFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc, x: float) float

C++: core::scoring::func::CharmmPeriodicFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::CharmmPeriodicFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::CharmmPeriodicFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::CharmmPeriodicFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.CharmmPeriodicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::CharmmPeriodicFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.CircularGeneral1D_Func

Bases: pyrosetta.rosetta.core.scoring.func.Func

Function that allows return of arbitrary FArrays – this time circularized.

assign(self: pyrosetta.rosetta.core.scoring.func.CircularGeneral1D_Func, : pyrosetta.rosetta.core.scoring.func.CircularGeneral1D_Func) pyrosetta.rosetta.core.scoring.func.CircularGeneral1D_Func

C++: core::scoring::func::CircularGeneral1D_Func::operator=(const class core::scoring::func::CircularGeneral1D_Func &) –> class core::scoring::func::CircularGeneral1D_Func &

clone(self: pyrosetta.rosetta.core.scoring.func.CircularGeneral1D_Func) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::CircularGeneral1D_Func::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.CircularGeneral1D_Func, x: float) float

C++: core::scoring::func::CircularGeneral1D_Func::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.CircularGeneral1D_Func, x: float) float

C++: core::scoring::func::CircularGeneral1D_Func::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.Func, : pyrosetta.rosetta.std.istream) None

initialize this Func from the given std::istream.

C++: core::scoring::func::Func::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.CircularGeneral1D_Func, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::CircularGeneral1D_Func::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
shows the definition of this function, usually the string type of

function and the parameters passed in to the constructor.

C++: core::scoring::func::Func::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Function that operates in radians, for applications like DihedralConstraint. Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints.

assign(self: pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc, : pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc) pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc

C++: core::scoring::func::CircularHarmonicFunc::operator=(const class core::scoring::func::CircularHarmonicFunc &) –> class core::scoring::func::CircularHarmonicFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::CircularHarmonicFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc, x: float) float

C++: core::scoring::func::CircularHarmonicFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc, x: float) float

C++: core::scoring::func::CircularHarmonicFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::CircularHarmonicFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::CircularHarmonicFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

sd(self: pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc) float

C++: core::scoring::func::CircularHarmonicFunc::sd() const –> double

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::CircularHarmonicFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

x0(self: pyrosetta.rosetta.core.scoring.func.CircularHarmonicFunc) float

C++: core::scoring::func::CircularHarmonicFunc::x0() const –> double

class pyrosetta.rosetta.core.scoring.func.CircularPowerFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Generalization of CircularCircularPowerFunc – other exponents allowed.

Operates in radians, like DihedralConstraint.

assign(self: pyrosetta.rosetta.core.scoring.func.Func, : pyrosetta.rosetta.core.scoring.func.Func) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::Func::operator=(const class core::scoring::func::Func &) –> class core::scoring::func::Func &

clone(self: pyrosetta.rosetta.core.scoring.func.CircularPowerFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::CircularPowerFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.CircularPowerFunc, x: float) float

C++: core::scoring::func::CircularPowerFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.CircularPowerFunc, x: float) float

C++: core::scoring::func::CircularPowerFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.Func, : pyrosetta.rosetta.std.istream) None

initialize this Func from the given std::istream.

C++: core::scoring::func::Func::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.CircularPowerFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::CircularPowerFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
shows the definition of this function, usually the string type of

function and the parameters passed in to the constructor.

C++: core::scoring::func::Func::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.CircularSigmoidalFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Function that operates in radians, for applications like DihedralConstraint. Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints.

assign(self: pyrosetta.rosetta.core.scoring.func.CircularSigmoidalFunc, : pyrosetta.rosetta.core.scoring.func.CircularSigmoidalFunc) pyrosetta.rosetta.core.scoring.func.CircularSigmoidalFunc

C++: core::scoring::func::CircularSigmoidalFunc::operator=(const class core::scoring::func::CircularSigmoidalFunc &) –> class core::scoring::func::CircularSigmoidalFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.CircularSigmoidalFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::CircularSigmoidalFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.CircularSigmoidalFunc, x: float) float

C++: core::scoring::func::CircularSigmoidalFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.CircularSigmoidalFunc, x: float) float

C++: core::scoring::func::CircularSigmoidalFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.CircularSigmoidalFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::CircularSigmoidalFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.CircularSigmoidalFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::CircularSigmoidalFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.CircularSigmoidalFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::CircularSigmoidalFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.CircularSplineFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc, : pyrosetta.rosetta.core.scoring.func.CircularSplineFunc) pyrosetta.rosetta.core.scoring.func.CircularSplineFunc

C++: core::scoring::func::CircularSplineFunc::operator=(const class core::scoring::func::CircularSplineFunc &) –> class core::scoring::func::CircularSplineFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::CircularSplineFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc, x: float) float

C++: core::scoring::func::CircularSplineFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc, x: float) float

C++: core::scoring::func::CircularSplineFunc::func(const double) const –> double

get_weight(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc) float

C++: core::scoring::func::CircularSplineFunc::get_weight() –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::CircularSplineFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::CircularSplineFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::CircularSplineFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::CircularSplineFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

train(self: pyrosetta.rosetta.core.scoring.func.CircularSplineFunc, energies_in: pyrosetta.rosetta.utility.vector1_double) None

C++: core::scoring::func::CircularSplineFunc::train(class utility::vector1<double, class std::allocator<double> >) –> void

class pyrosetta.rosetta.core.scoring.func.ConformationXYZ

Bases: pyrosetta.rosetta.core.scoring.func.XYZ_Func

assign(self: pyrosetta.rosetta.core.scoring.func.XYZ_Func, : pyrosetta.rosetta.core.scoring.func.XYZ_Func) pyrosetta.rosetta.core.scoring.func.XYZ_Func

C++: core::scoring::func::XYZ_Func::operator=(const class core::scoring::func::XYZ_Func &) –> class core::scoring::func::XYZ_Func &

residue(self: pyrosetta.rosetta.core.scoring.func.ConformationXYZ, seqpos: int) pyrosetta.rosetta.core.conformation.Residue

C++: core::scoring::func::ConformationXYZ::residue(unsigned long) const –> const class core::conformation::Residue &

class pyrosetta.rosetta.core.scoring.func.ConstantFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Derived class of class Func representing a Constant distribution with a user-specified mean and standard deviation.

assign(self: pyrosetta.rosetta.core.scoring.func.ConstantFunc, : pyrosetta.rosetta.core.scoring.func.ConstantFunc) pyrosetta.rosetta.core.scoring.func.ConstantFunc

C++: core::scoring::func::ConstantFunc::operator=(const class core::scoring::func::ConstantFunc &) –> class core::scoring::func::ConstantFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.ConstantFunc) pyrosetta.rosetta.core.scoring.func.Func

returns a clone of this ConstantFunc

C++: core::scoring::func::ConstantFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.ConstantFunc, : float) float

Returns the value of the first derivative of this ConstantFunc at distance x.

C++: core::scoring::func::ConstantFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.ConstantFunc, : float) float

Returns the value of this ConstantFunc evaluated at distance x.

C++: core::scoring::func::ConstantFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.ConstantFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::ConstantFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.ConstantFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::ConstantFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.ConstantFunc, out: pyrosetta.rosetta.std.ostream) None

show the definition of this ConstantFunc to the specified output stream.

C++: core::scoring::func::ConstantFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.CountViolFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.CountViolFunc, : pyrosetta.rosetta.core.scoring.func.CountViolFunc) pyrosetta.rosetta.core.scoring.func.CountViolFunc

C++: core::scoring::func::CountViolFunc::operator=(const class core::scoring::func::CountViolFunc &) –> class core::scoring::func::CountViolFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.CountViolFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::CountViolFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.CountViolFunc, x: float) float

C++: core::scoring::func::CountViolFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.CountViolFunc, x: float) float

C++: core::scoring::func::CountViolFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.CountViolFunc, : pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::CountViolFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.CountViolFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::CountViolFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.CountViolFunc, out: pyrosetta.rosetta.std.ostream) None
shows the definition of this function, usually the string type of function and the

parameters passed in to the constructor.

C++: core::scoring::func::CountViolFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.CountViolFunc, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.CountViolFunc, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for this constraint.

C++: core::scoring::func::CountViolFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

viols(self: pyrosetta.rosetta.core.scoring.func.CountViolFunc) int

C++: core::scoring::func::CountViolFunc::viols() const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.EtableFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Class for representing arbitrarily defined functions.

assign(self: pyrosetta.rosetta.core.scoring.func.EtableFunc, : pyrosetta.rosetta.core.scoring.func.EtableFunc) pyrosetta.rosetta.core.scoring.func.EtableFunc

C++: core::scoring::func::EtableFunc::operator=(const class core::scoring::func::EtableFunc &) –> class core::scoring::func::EtableFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.EtableFunc) pyrosetta.rosetta.core.scoring.func.Func

returns a clone of this EtableFunc

C++: core::scoring::func::EtableFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.EtableFunc, x: float) float

Returns the value of the first derivative of this EtableFunc at distance x.

C++: core::scoring::func::EtableFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.EtableFunc, x: float) float

Returns the value of this EtableFunc evaluated at distance x.

C++: core::scoring::func::EtableFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.EtableFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::EtableFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.EtableFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::EtableFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.EtableFunc, out: pyrosetta.rosetta.std.ostream) None

show the definitio of this EtableFunc to the specified output stream.

C++: core::scoring::func::EtableFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.FadeFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, : pyrosetta.rosetta.core.scoring.func.FadeFunc) pyrosetta.rosetta.core.scoring.func.FadeFunc

C++: core::scoring::func::FadeFunc::operator=(const class core::scoring::func::FadeFunc &) –> class core::scoring::func::FadeFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.FadeFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::FadeFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

cutoff_lower(*args, **kwargs)

Overloaded function.

  1. cutoff_lower(self: pyrosetta.rosetta.core.scoring.func.FadeFunc) -> float

C++: core::scoring::func::FadeFunc::cutoff_lower() const –> double

  1. cutoff_lower(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, x: float) -> None

C++: core::scoring::func::FadeFunc::cutoff_lower(double) –> void

cutoff_upper(*args, **kwargs)

Overloaded function.

  1. cutoff_upper(self: pyrosetta.rosetta.core.scoring.func.FadeFunc) -> float

C++: core::scoring::func::FadeFunc::cutoff_upper() const –> double

  1. cutoff_upper(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, x: float) -> None

C++: core::scoring::func::FadeFunc::cutoff_upper(double) –> void

dfunc(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, x: float) float

C++: core::scoring::func::FadeFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

fade_zone(*args, **kwargs)

Overloaded function.

  1. fade_zone(self: pyrosetta.rosetta.core.scoring.func.FadeFunc) -> float

C++: core::scoring::func::FadeFunc::fade_zone() const –> double

  1. fade_zone(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, x: float) -> None

C++: core::scoring::func::FadeFunc::fade_zone(double) –> void

func(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, x: float) float

C++: core::scoring::func::FadeFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::FadeFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::FadeFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::FadeFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.FadeFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::FadeFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, : pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc) pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc

C++: core::scoring::func::FlatHarmonicFunc::operator=(const class core::scoring::func::FlatHarmonicFunc &) –> class core::scoring::func::FlatHarmonicFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::FlatHarmonicFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, x: float) float

C++: core::scoring::func::FlatHarmonicFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, x: float) float

C++: core::scoring::func::FlatHarmonicFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::FlatHarmonicFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::FlatHarmonicFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

sd(*args, **kwargs)

Overloaded function.

  1. sd(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc) -> float

C++: core::scoring::func::FlatHarmonicFunc::sd() const –> double

  1. sd(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, sd: float) -> None

C++: core::scoring::func::FlatHarmonicFunc::sd(double) –> void

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::FlatHarmonicFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::FlatHarmonicFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

tol(*args, **kwargs)

Overloaded function.

  1. tol(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc) -> float

C++: core::scoring::func::FlatHarmonicFunc::tol() const –> double

  1. tol(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, tol: float) -> None

C++: core::scoring::func::FlatHarmonicFunc::tol(double) –> void

x0(*args, **kwargs)

Overloaded function.

  1. x0(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc) -> float

C++: core::scoring::func::FlatHarmonicFunc::x0() const –> double

  1. x0(self: pyrosetta.rosetta.core.scoring.func.FlatHarmonicFunc, x: float) -> None

C++: core::scoring::func::FlatHarmonicFunc::x0(double) –> void

class pyrosetta.rosetta.core.scoring.func.FourPointsFunc

Bases: pyrosetta.rosetta.core.scoring.func.XYZ_Func

A simple class that represents the coordinates of four points, pretending that they all belong to residue 1. The residue() method is not implemented and cause a utility_exit.

assign(self: pyrosetta.rosetta.core.scoring.func.FourPointsFunc, : pyrosetta.rosetta.core.scoring.func.FourPointsFunc) pyrosetta.rosetta.core.scoring.func.FourPointsFunc

C++: core::scoring::func::FourPointsFunc::operator=(const class core::scoring::func::FourPointsFunc &) –> class core::scoring::func::FourPointsFunc &

residue(self: pyrosetta.rosetta.core.scoring.func.FourPointsFunc, seqpos: int) pyrosetta.rosetta.core.conformation.Residue

C++: core::scoring::func::FourPointsFunc::residue(unsigned long) const –> const class core::conformation::Residue &

xyz(self: pyrosetta.rosetta.core.scoring.func.FourPointsFunc, atomid: int, coord: pyrosetta.rosetta.numeric.xyzVector_double_t) None

set the coordinate for one of the four atoms

C++: core::scoring::func::FourPointsFunc::xyz(unsigned long, const class numeric::xyzVector<double> &) –> void

class pyrosetta.rosetta.core.scoring.func.Func

Bases: pybind11_builtins.pybind11_object

Func is an abstract base class representing a function used to define constraints, in which func(r) gives the constraint score for the given value r.

assign(self: pyrosetta.rosetta.core.scoring.func.Func, : pyrosetta.rosetta.core.scoring.func.Func) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::Func::operator=(const class core::scoring::func::Func &) –> class core::scoring::func::Func &

clone(self: pyrosetta.rosetta.core.scoring.func.Func) pyrosetta.rosetta.core.scoring.func.Func
This method must return a deep copy of this %Func, meaning if this %Func holds pointers

to other %Func objects, that it must clone those %Func objects as well.

C++: core::scoring::func::Func::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, : float) float
Returns a value representing the derivative of this function

evaluated at a given point.

C++: core::scoring::func::Func::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.Func, : float) float
Returns a value representing this function evaluated at a given

point.

C++: core::scoring::func::Func::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.Func, : pyrosetta.rosetta.std.istream) None

initialize this Func from the given std::istream.

C++: core::scoring::func::Func::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.Func, other: pyrosetta.rosetta.core.scoring.func.Func) bool
Does the input Func, “other”, have the same type as me? Necessary for the

equality operator to function correctly. All derived Func classes must implement this function.

C++: core::scoring::func::Func::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
shows the definition of this function, usually the string type of

function and the parameters passed in to the constructor.

C++: core::scoring::func::Func::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.FuncFactory

Bases: pybind11_builtins.pybind11_object

add_type(self: pyrosetta.rosetta.core.scoring.func.FuncFactory, type_name: str, new_func: pyrosetta.rosetta.core.scoring.func.Func) None

C++: core::scoring::func::FuncFactory::add_type(std::string, class std::shared_ptr<class core::scoring::func::Func>) –> void

assign(self: pyrosetta.rosetta.core.scoring.func.FuncFactory, : pyrosetta.rosetta.core.scoring.func.FuncFactory) pyrosetta.rosetta.core.scoring.func.FuncFactory

C++: core::scoring::func::FuncFactory::operator=(const class core::scoring::func::FuncFactory &) –> class core::scoring::func::FuncFactory &

new_func(self: pyrosetta.rosetta.core.scoring.func.FuncFactory, type: str) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::FuncFactory::new_func(const std::string &) const –> class std::shared_ptr<class core::scoring::func::Func>

class pyrosetta.rosetta.core.scoring.func.GaussianChainDoubleFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.GaussianChainDoubleFunc, : pyrosetta.rosetta.core.scoring.func.GaussianChainDoubleFunc) pyrosetta.rosetta.core.scoring.func.GaussianChainDoubleFunc

C++: core::scoring::func::GaussianChainDoubleFunc::operator=(const class core::scoring::func::GaussianChainDoubleFunc &) –> class core::scoring::func::GaussianChainDoubleFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.GaussianChainDoubleFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::GaussianChainDoubleFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.GaussianChainDoubleFunc, x: float) float

C++: core::scoring::func::GaussianChainDoubleFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.GaussianChainDoubleFunc, x: float) float

C++: core::scoring::func::GaussianChainDoubleFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.GaussianChainDoubleFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::GaussianChainDoubleFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.GaussianChainDoubleFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::GaussianChainDoubleFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.GaussianChainDoubleFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::GaussianChainDoubleFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.GaussianChainFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.GaussianChainFunc, : pyrosetta.rosetta.core.scoring.func.GaussianChainFunc) pyrosetta.rosetta.core.scoring.func.GaussianChainFunc

C++: core::scoring::func::GaussianChainFunc::operator=(const class core::scoring::func::GaussianChainFunc &) –> class core::scoring::func::GaussianChainFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.GaussianChainFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::GaussianChainFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.GaussianChainFunc, x: float) float

C++: core::scoring::func::GaussianChainFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

force_combined_gaussian_approximation(self: pyrosetta.rosetta.core.scoring.func.GaussianChainFunc) bool

C++: core::scoring::func::GaussianChainFunc::force_combined_gaussian_approximation() const –> bool

func(self: pyrosetta.rosetta.core.scoring.func.GaussianChainFunc, x: float) float

C++: core::scoring::func::GaussianChainFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.GaussianChainFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::GaussianChainFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.GaussianChainFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::GaussianChainFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

set_force_combined_gaussian_approximation(self: pyrosetta.rosetta.core.scoring.func.GaussianChainFunc, setting: bool) None

C++: core::scoring::func::GaussianChainFunc::set_force_combined_gaussian_approximation(const bool &) –> void

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.GaussianChainFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::GaussianChainFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc, : pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc) pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc

C++: core::scoring::func::GaussianChainGeneralFunc::operator=(const class core::scoring::func::GaussianChainGeneralFunc &) –> class core::scoring::func::GaussianChainGeneralFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::GaussianChainGeneralFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc, x: float) float

C++: core::scoring::func::GaussianChainGeneralFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(*args, **kwargs)

Overloaded function.

  1. func(self: pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc, z: float, calc_deriv: bool, deriv: float) -> float

C++: core::scoring::func::GaussianChainGeneralFunc::func(const double, const bool, double &) const –> double

  1. func(self: pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc, x: float) -> float

C++: core::scoring::func::GaussianChainGeneralFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::GaussianChainGeneralFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::GaussianChainGeneralFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.GaussianChainGeneralFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::GaussianChainGeneralFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.GaussianChainQuadrupleFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.GaussianChainQuadrupleFunc, : pyrosetta.rosetta.core.scoring.func.GaussianChainQuadrupleFunc) pyrosetta.rosetta.core.scoring.func.GaussianChainQuadrupleFunc

C++: core::scoring::func::GaussianChainQuadrupleFunc::operator=(const class core::scoring::func::GaussianChainQuadrupleFunc &) –> class core::scoring::func::GaussianChainQuadrupleFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.GaussianChainQuadrupleFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::GaussianChainQuadrupleFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.GaussianChainQuadrupleFunc, x: float) float

C++: core::scoring::func::GaussianChainQuadrupleFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.GaussianChainQuadrupleFunc, x: float) float

C++: core::scoring::func::GaussianChainQuadrupleFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.GaussianChainQuadrupleFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::GaussianChainQuadrupleFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.GaussianChainQuadrupleFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::GaussianChainQuadrupleFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.GaussianChainQuadrupleFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::GaussianChainQuadrupleFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.GaussianChainSingleFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.GaussianChainSingleFunc, : pyrosetta.rosetta.core.scoring.func.GaussianChainSingleFunc) pyrosetta.rosetta.core.scoring.func.GaussianChainSingleFunc

C++: core::scoring::func::GaussianChainSingleFunc::operator=(const class core::scoring::func::GaussianChainSingleFunc &) –> class core::scoring::func::GaussianChainSingleFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.GaussianChainSingleFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::GaussianChainSingleFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.GaussianChainSingleFunc, x: float) float

C++: core::scoring::func::GaussianChainSingleFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.GaussianChainSingleFunc, x: float) float

C++: core::scoring::func::GaussianChainSingleFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.GaussianChainSingleFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::GaussianChainSingleFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.GaussianChainSingleFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::GaussianChainSingleFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.GaussianChainSingleFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::GaussianChainSingleFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.GaussianChainTripleFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.GaussianChainTripleFunc, : pyrosetta.rosetta.core.scoring.func.GaussianChainTripleFunc) pyrosetta.rosetta.core.scoring.func.GaussianChainTripleFunc

C++: core::scoring::func::GaussianChainTripleFunc::operator=(const class core::scoring::func::GaussianChainTripleFunc &) –> class core::scoring::func::GaussianChainTripleFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.GaussianChainTripleFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::GaussianChainTripleFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.GaussianChainTripleFunc, x: float) float

C++: core::scoring::func::GaussianChainTripleFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.GaussianChainTripleFunc, x: float) float

C++: core::scoring::func::GaussianChainTripleFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.GaussianChainTripleFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::GaussianChainTripleFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.GaussianChainTripleFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::GaussianChainTripleFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.GaussianChainTripleFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::GaussianChainTripleFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.GaussianFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Derived class of class Func representing a Gaussian distribution with a user-specified mean and standard deviation.

assign(self: pyrosetta.rosetta.core.scoring.func.GaussianFunc, : pyrosetta.rosetta.core.scoring.func.GaussianFunc) pyrosetta.rosetta.core.scoring.func.GaussianFunc

C++: core::scoring::func::GaussianFunc::operator=(const class core::scoring::func::GaussianFunc &) –> class core::scoring::func::GaussianFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.GaussianFunc) pyrosetta.rosetta.core.scoring.func.Func

returns a clone of this GaussianFunc

C++: core::scoring::func::GaussianFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.GaussianFunc, x: float) float

Returns the value of the first derivative of this GaussianFunc at distance x.

C++: core::scoring::func::GaussianFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.GaussianFunc, x: float) float

Returns the value of this GaussianFunc evaluated at distance x.

C++: core::scoring::func::GaussianFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.GaussianFunc, in: pyrosetta.rosetta.std.istream) None

The parameters are:

Initializes this GaussianFunc from the given istream. An example of the type of string from which the istream should be constructed is: “GAUSSIANFUNC 19.396 7.643”. The interpretation is to create initialize this GaussianFunc object with the following parameters: - mean 19.396 - sd 7.643

C++: core::scoring::func::GaussianFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.GaussianFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::GaussianFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.GaussianFunc, out: pyrosetta.rosetta.std.ostream) None

show the definitio of this GaussianFunc to the specified output stream.

C++: core::scoring::func::GaussianFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.HarmonicFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc, : pyrosetta.rosetta.core.scoring.func.HarmonicFunc) pyrosetta.rosetta.core.scoring.func.HarmonicFunc

C++: core::scoring::func::HarmonicFunc::operator=(const class core::scoring::func::HarmonicFunc &) –> class core::scoring::func::HarmonicFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::HarmonicFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc, x: float) float

C++: core::scoring::func::HarmonicFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc, x: float) float

C++: core::scoring::func::HarmonicFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::HarmonicFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::HarmonicFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

sd(*args, **kwargs)

Overloaded function.

  1. sd(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc) -> float

C++: core::scoring::func::HarmonicFunc::sd() const –> double

  1. sd(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc, sd: float) -> None

C++: core::scoring::func::HarmonicFunc::sd(double) –> void

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::HarmonicFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::HarmonicFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

x0(*args, **kwargs)

Overloaded function.

  1. x0(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc) -> float

C++: core::scoring::func::HarmonicFunc::x0() const –> double

  1. x0(self: pyrosetta.rosetta.core.scoring.func.HarmonicFunc, x: float) -> None

C++: core::scoring::func::HarmonicFunc::x0(double) –> void

class pyrosetta.rosetta.core.scoring.func.IdentityFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.IdentityFunc, : pyrosetta.rosetta.core.scoring.func.IdentityFunc) pyrosetta.rosetta.core.scoring.func.IdentityFunc

C++: core::scoring::func::IdentityFunc::operator=(const class core::scoring::func::IdentityFunc &) –> class core::scoring::func::IdentityFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.IdentityFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::IdentityFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.IdentityFunc, x: float) float

C++: core::scoring::func::IdentityFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.IdentityFunc, x: float) float

C++: core::scoring::func::IdentityFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.IdentityFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::IdentityFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.IdentityFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::IdentityFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.IdentityFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::IdentityFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.IdentityFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.IdentityFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::IdentityFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.KarplusFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Function that evaluates a J-coupling from dihedral angles in radians, for applications like DihedralConstraint. Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints.

assign(self: pyrosetta.rosetta.core.scoring.func.KarplusFunc, : pyrosetta.rosetta.core.scoring.func.KarplusFunc) pyrosetta.rosetta.core.scoring.func.KarplusFunc

C++: core::scoring::func::KarplusFunc::operator=(const class core::scoring::func::KarplusFunc &) –> class core::scoring::func::KarplusFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.KarplusFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::KarplusFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.KarplusFunc, x: float) float

C++: core::scoring::func::KarplusFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.KarplusFunc, x: float) float

C++: core::scoring::func::KarplusFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.KarplusFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::KarplusFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.KarplusFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::KarplusFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.KarplusFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::KarplusFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, : pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction) pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction

C++: core::scoring::func::LinearPenaltyFunction::operator=(const class core::scoring::func::LinearPenaltyFunction &) –> class core::scoring::func::LinearPenaltyFunction &

clone(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::LinearPenaltyFunction::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, x: float) float

C++: core::scoring::func::LinearPenaltyFunction::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, x: float) float

C++: core::scoring::func::LinearPenaltyFunction::func(const double) const –> double

get_half_width(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction) float

C++: core::scoring::func::LinearPenaltyFunction::get_half_width() const –> double

get_slope(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction) float

C++: core::scoring::func::LinearPenaltyFunction::get_slope() const –> double

get_well_depth(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction) float

C++: core::scoring::func::LinearPenaltyFunction::get_well_depth() const –> double

get_x_middle(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction) float

C++: core::scoring::func::LinearPenaltyFunction::get_x_middle() const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::LinearPenaltyFunction::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::LinearPenaltyFunction::same_type_as_me(const class core::scoring::func::Func &) const –> bool

set_half_width(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, half_width: float) None

C++: core::scoring::func::LinearPenaltyFunction::set_half_width(double) –> void

set_slope(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, slope: float) None

C++: core::scoring::func::LinearPenaltyFunction::set_slope(double) –> void

set_well_depth(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, well_depth: float) None

C++: core::scoring::func::LinearPenaltyFunction::set_well_depth(double) –> void

set_x_middle(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, x: float) None

C++: core::scoring::func::LinearPenaltyFunction::set_x_middle(double) –> void

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::LinearPenaltyFunction::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.LinearPenaltyFunction, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::LinearPenaltyFunction::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, : pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc) pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc

C++: core::scoring::func::MinMultiHarmonicFunc::operator=(const class core::scoring::func::MinMultiHarmonicFunc &) –> class core::scoring::func::MinMultiHarmonicFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::MinMultiHarmonicFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, x: float) float

C++: core::scoring::func::MinMultiHarmonicFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, x: float) float

C++: core::scoring::func::MinMultiHarmonicFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::MinMultiHarmonicFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::MinMultiHarmonicFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

sd(*args, **kwargs)

Overloaded function.

  1. sd(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, n: int) -> float

C++: core::scoring::func::MinMultiHarmonicFunc::sd(int) const –> double

  1. sd(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, n: int, sd: float) -> None

C++: core::scoring::func::MinMultiHarmonicFunc::sd(int, double) –> void

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::MinMultiHarmonicFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::MinMultiHarmonicFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

x0(*args, **kwargs)

Overloaded function.

  1. x0(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, n: int) -> float

C++: core::scoring::func::MinMultiHarmonicFunc::x0(int) const –> double

  1. x0(self: pyrosetta.rosetta.core.scoring.func.MinMultiHarmonicFunc, n: int, x: float) -> None

C++: core::scoring::func::MinMultiHarmonicFunc::x0(int, double) –> void

class pyrosetta.rosetta.core.scoring.func.MixtureFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Derived class of class Func representing a Mixture of several distinct functions. The function is of the form ln( g(r) / h(r) ), where g(r) is a mixture of a Gaussian and Exponential distributions, and h(r) is a Gaussian distribution. See methods and implementation for more information.

assign(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc, : pyrosetta.rosetta.core.scoring.func.MixtureFunc) pyrosetta.rosetta.core.scoring.func.MixtureFunc

C++: core::scoring::func::MixtureFunc::operator=(const class core::scoring::func::MixtureFunc &) –> class core::scoring::func::MixtureFunc &

calc_kl_divergence(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc) float

Calculates the K-L divergence between the inferred and background distributions.

C++: core::scoring::func::MixtureFunc::calc_kl_divergence() const –> double

clone(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc) pyrosetta.rosetta.core.scoring.func.Func

returns a clone of this MixtureFunc

C++: core::scoring::func::MixtureFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc, x: float) float

Returns the value of the first derivative of this MixtureFunc at distance x.

C++: core::scoring::func::MixtureFunc::dfunc(const double) const –> double

dfunc_component(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc, x: float, g: float, h: float, g_prime: float, h_prime: float) float
Function that’s used for debugging. Given x, this calculates

g(x), h(x), g’(x) and h’(x).

C++: core::scoring::func::MixtureFunc::dfunc_component(const double, double &, double &, double &, double &) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc, x: float) float

Returns the value of this MixtureFunc evaluated at distance x.

C++: core::scoring::func::MixtureFunc::func(const double) const –> double

func_(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc, x: float) float

Returns the value of this MixtureFunc evaluated at distance x.

C++: core::scoring::func::MixtureFunc::func_(double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc, in: pyrosetta.rosetta.std.istream) None

The parameters are:

Initializes this MixtureFunc from the given istream. An example of the type of string from which the istream should be constructed is: “MIXTUREFUNC 6.9734 3.598 0.222 0.872 19.396 7.643”. The interpretation is to create initialize this MixtureFunc object with the following parameters: - anchor 6.9734 - gaussian_param 3.598 - exp_param 0.222 - mixture_param 0.872 - bg_mean 19.396 - bg_sd 7.643

C++: core::scoring::func::MixtureFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::MixtureFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc, out: pyrosetta.rosetta.std.ostream) None

Prints this MixtureFunc to the given ostream.

C++: core::scoring::func::MixtureFunc::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.MixtureFunc, out: pyrosetta.rosetta.std.ostream) None

show the definitio of this MixtureFunc to the specified output stream.

C++: core::scoring::func::MixtureFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.PeriodicFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

function of type y = ( k * cos(n * (x - x0) ) ) + C

assign(self: pyrosetta.rosetta.core.scoring.func.PeriodicFunc, : pyrosetta.rosetta.core.scoring.func.PeriodicFunc) pyrosetta.rosetta.core.scoring.func.PeriodicFunc

C++: core::scoring::func::PeriodicFunc::operator=(const class core::scoring::func::PeriodicFunc &) –> class core::scoring::func::PeriodicFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.PeriodicFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::PeriodicFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.PeriodicFunc, x: float) float

C++: core::scoring::func::PeriodicFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.PeriodicFunc, x: float) float

C++: core::scoring::func::PeriodicFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.PeriodicFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::PeriodicFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.PeriodicFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::PeriodicFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.PeriodicFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::PeriodicFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.PeriodicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.PeriodicFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::PeriodicFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.ResiduePairXYZ

Bases: pyrosetta.rosetta.core.scoring.func.XYZ_Func

assign(self: pyrosetta.rosetta.core.scoring.func.XYZ_Func, : pyrosetta.rosetta.core.scoring.func.XYZ_Func) pyrosetta.rosetta.core.scoring.func.XYZ_Func

C++: core::scoring::func::XYZ_Func::operator=(const class core::scoring::func::XYZ_Func &) –> class core::scoring::func::XYZ_Func &

residue(self: pyrosetta.rosetta.core.scoring.func.ResiduePairXYZ, seqpos: int) pyrosetta.rosetta.core.conformation.Residue

C++: core::scoring::func::ResiduePairXYZ::residue(unsigned long) const –> const class core::conformation::Residue &

class pyrosetta.rosetta.core.scoring.func.ResidueXYZ

Bases: pyrosetta.rosetta.core.scoring.func.XYZ_Func

assign(self: pyrosetta.rosetta.core.scoring.func.XYZ_Func, : pyrosetta.rosetta.core.scoring.func.XYZ_Func) pyrosetta.rosetta.core.scoring.func.XYZ_Func

C++: core::scoring::func::XYZ_Func::operator=(const class core::scoring::func::XYZ_Func &) –> class core::scoring::func::XYZ_Func &

residue(self: pyrosetta.rosetta.core.scoring.func.ResidueXYZ, seqpos: int) pyrosetta.rosetta.core.conformation.Residue

C++: core::scoring::func::ResidueXYZ::residue(unsigned long) const –> const class core::conformation::Residue &

class pyrosetta.rosetta.core.scoring.func.SOGFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Derived class of class Func representing a SOG distribution with a user-specified mean and standard deviation.

assign(self: pyrosetta.rosetta.core.scoring.func.SOGFunc, : pyrosetta.rosetta.core.scoring.func.SOGFunc) pyrosetta.rosetta.core.scoring.func.SOGFunc

C++: core::scoring::func::SOGFunc::operator=(const class core::scoring::func::SOGFunc &) –> class core::scoring::func::SOGFunc &

check_bounds(self: pyrosetta.rosetta.core.scoring.func.SOGFunc, x: float, val: float) None

C++: core::scoring::func::SOGFunc::check_bounds(const double, const double) const –> void

clone(self: pyrosetta.rosetta.core.scoring.func.SOGFunc) pyrosetta.rosetta.core.scoring.func.Func

returns a clone of this SOGFunc

C++: core::scoring::func::SOGFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.SOGFunc, x: float) float

Returns the value of the first derivative of this SOGFunc at distance x.

C++: core::scoring::func::SOGFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.SOGFunc, x: float) float

Returns the value of this SOGFunc evaluated at distance x.

C++: core::scoring::func::SOGFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.SOGFunc, in: pyrosetta.rosetta.std.istream) None

Initializes this SOGFunc from the given istream.

The parameters are:

Initializes this SOGFunc from the given istream. An example of the type of string from which the istream should be constructed is: “SOGFUNC 2 19.396 7.643 0.4 17.312 2.4 0.6”. The interpretation is to create initialize this SOGFunc object with the following parameters: - one Gaussian function with mean 19.396 and sd 7.643, weighted with a weight of 0.4 - another Gaussian function with mean of 17.312 and sd 2.4, with a weight of 0.6. Weights need not add up to 1, but many times they will.

C++: core::scoring::func::SOGFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.SOGFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::SOGFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.SOGFunc, out: pyrosetta.rosetta.std.ostream) None

show the definition of this SOGFunc to the specified output stream.

C++: core::scoring::func::SOGFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl

Bases: pybind11_builtins.pybind11_object

Derived class of class Func representing a SOG distribution with a user-specified mean and standard deviation.

assign(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, : pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl) pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl

C++: core::scoring::func::SOGFunc_Impl::operator=(const class core::scoring::func::SOGFunc_Impl &) –> class core::scoring::func::SOGFunc_Impl &

check_bounds(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, x: float, val: float) None

C++: core::scoring::func::SOGFunc_Impl::check_bounds(const double, const double) const –> void

clear_(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl) None

C++: core::scoring::func::SOGFunc_Impl::clear_() –> void

dfunc(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, x: float) float

Returns the value of the first derivative of this SOGFunc_Impl at distance x.

C++: core::scoring::func::SOGFunc_Impl::dfunc(const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, x: float) float

Returns the value of this SOGFunc_Impl evaluated at distance x.

C++: core::scoring::func::SOGFunc_Impl::func(const double) const –> double

get_alt_score_(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, x: float) float

C++: core::scoring::func::SOGFunc_Impl::get_alt_score_(const double) const –> double

prob_sum_of_gaussians(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, x: float) float

C++: core::scoring::func::SOGFunc_Impl::prob_sum_of_gaussians(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, in: pyrosetta.rosetta.std.istream) None

Initializes this SOGFunc_Impl from the given istream.

The parameters are:

Initializes this SOGFunc_Impl from the given istream. An example of the type of string from which the istream should be constructed is: “SOGFUNC 2 19.396 7.643 0.4 17.312 2.4 0.6”. The interpretation is to create initialize this SOGFunc_Impl object with the following parameters: - one Gaussian function with mean 19.396 and sd 7.643, weighted with a weight of 0.4 - another Gaussian function with mean of 17.312 and sd 2.4, with a weight of 0.6. Weights need not add up to 1, but many times they will.

C++: core::scoring::func::SOGFunc_Impl::read_data(std::istream &) –> void

renormalize_weights(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl) None

C++: core::scoring::func::SOGFunc_Impl::renormalize_weights() –> void

set_defaults(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl) None

C++: core::scoring::func::SOGFunc_Impl::set_defaults() –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, out: pyrosetta.rosetta.std.ostream) None

show the definitio of this SOGFunc_Impl to the specified output stream.

C++: core::scoring::func::SOGFunc_Impl::show_definition(std::ostream &) const –> void

smooth_to_zero(*args, **kwargs)

Overloaded function.

  1. smooth_to_zero(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, setting: bool) -> None

C++: core::scoring::func::SOGFunc_Impl::smooth_to_zero(const bool) –> void

  1. smooth_to_zero(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl) -> bool

C++: core::scoring::func::SOGFunc_Impl::smooth_to_zero() const –> bool

sog_cst_param(*args, **kwargs)

Overloaded function.

  1. sog_cst_param(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl) -> float

C++: core::scoring::func::SOGFunc_Impl::sog_cst_param() const –> double

  1. sog_cst_param(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, param: float) -> None

C++: core::scoring::func::SOGFunc_Impl::sog_cst_param(const double) –> void

upper_bound(*args, **kwargs)

Overloaded function.

  1. upper_bound(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl, r: float) -> None

C++: core::scoring::func::SOGFunc_Impl::upper_bound(const double) –> void

  1. upper_bound(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl) -> float

C++: core::scoring::func::SOGFunc_Impl::upper_bound() const –> double

upper_bound_score(self: pyrosetta.rosetta.core.scoring.func.SOGFunc_Impl) float

C++: core::scoring::func::SOGFunc_Impl::upper_bound_score() const –> double

class pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc, : pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc) pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc

C++: core::scoring::func::ScalarWeightedFunc::operator=(const class core::scoring::func::ScalarWeightedFunc &) –> class core::scoring::func::ScalarWeightedFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::ScalarWeightedFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc, x: float) float

C++: core::scoring::func::ScalarWeightedFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc, x: float) float

C++: core::scoring::func::ScalarWeightedFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc, : pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::ScalarWeightedFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::ScalarWeightedFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::ScalarWeightedFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.ScalarWeightedFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::ScalarWeightedFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.SigmoidFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc, : pyrosetta.rosetta.core.scoring.func.SigmoidFunc) pyrosetta.rosetta.core.scoring.func.SigmoidFunc

C++: core::scoring::func::SigmoidFunc::operator=(const class core::scoring::func::SigmoidFunc &) –> class core::scoring::func::SigmoidFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::SigmoidFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc, x: float) float

C++: core::scoring::func::SigmoidFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc, x: float) float

C++: core::scoring::func::SigmoidFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::SigmoidFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::SigmoidFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::SigmoidFunc::show_definition(std::ostream &) const –> void

show_violations(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) int

C++: core::scoring::func::SigmoidFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

slope(*args, **kwargs)

Overloaded function.

  1. slope(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc) -> float

C++: core::scoring::func::SigmoidFunc::slope() const –> double

  1. slope(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc, slope: float) -> None

C++: core::scoring::func::SigmoidFunc::slope(double) –> void

x0(*args, **kwargs)

Overloaded function.

  1. x0(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc) -> float

C++: core::scoring::func::SigmoidFunc::x0() const –> double

  1. x0(self: pyrosetta.rosetta.core.scoring.func.SigmoidFunc, x: float) -> None

C++: core::scoring::func::SigmoidFunc::x0(double) –> void

class pyrosetta.rosetta.core.scoring.func.SkipViolFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.SkipViolFunc, : pyrosetta.rosetta.core.scoring.func.SkipViolFunc) pyrosetta.rosetta.core.scoring.func.SkipViolFunc

C++: core::scoring::func::SkipViolFunc::operator=(const class core::scoring::func::SkipViolFunc &) –> class core::scoring::func::SkipViolFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.SkipViolFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::SkipViolFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.SkipViolFunc, x: float) float

C++: core::scoring::func::SkipViolFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.SkipViolFunc, x: float) float

C++: core::scoring::func::SkipViolFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.SkipViolFunc, : pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::SkipViolFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.SkipViolFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::SkipViolFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.SkipViolFunc, out: pyrosetta.rosetta.std.ostream) None
shows the definition of this function, usually the string type of function and the

parameters passed in to the constructor.

C++: core::scoring::func::SkipViolFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.SkipViolFunc, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.SkipViolFunc, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for this constraint.

C++: core::scoring::func::SkipViolFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

viols(self: pyrosetta.rosetta.core.scoring.func.SkipViolFunc) int

C++: core::scoring::func::SkipViolFunc::viols() const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.SmoothStepFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.SmoothStepFunc, : pyrosetta.rosetta.core.scoring.func.SmoothStepFunc) pyrosetta.rosetta.core.scoring.func.SmoothStepFunc

C++: core::scoring::func::SmoothStepFunc::operator=(const class core::scoring::func::SmoothStepFunc &) –> class core::scoring::func::SmoothStepFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.SmoothStepFunc) pyrosetta.rosetta.core.scoring.func.Func

returns a clone of this SmoothStepFunc

C++: core::scoring::func::SmoothStepFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.SmoothStepFunc, x: float) float

C++: core::scoring::func::SmoothStepFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.SmoothStepFunc, x: float) float

C++: core::scoring::func::SmoothStepFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.SmoothStepFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::SmoothStepFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.SmoothStepFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::SmoothStepFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.SmoothStepFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::SmoothStepFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.SoedingFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Derived class of class Func representing a Soeding distribution with a user-specified mean and standard deviation.

assign(self: pyrosetta.rosetta.core.scoring.func.SoedingFunc, : pyrosetta.rosetta.core.scoring.func.SoedingFunc) pyrosetta.rosetta.core.scoring.func.SoedingFunc

C++: core::scoring::func::SoedingFunc::operator=(const class core::scoring::func::SoedingFunc &) –> class core::scoring::func::SoedingFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.SoedingFunc) pyrosetta.rosetta.core.scoring.func.Func

returns a clone of this SoedingFunc

C++: core::scoring::func::SoedingFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

compute_func(self: pyrosetta.rosetta.core.scoring.func.SoedingFunc, x: float) float

C++: core::scoring::func::SoedingFunc::compute_func(const double) const –> double

dfunc(self: pyrosetta.rosetta.core.scoring.func.SoedingFunc, x: float) float

Returns the value of the first derivative of this SoedingFunc at distance x.

C++: core::scoring::func::SoedingFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.SoedingFunc, x: float) float

Returns the value of this SoedingFunc evaluated at distance x.

C++: core::scoring::func::SoedingFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.SoedingFunc, in: pyrosetta.rosetta.std.istream) None

Initializes this SoedingFunc from the given istream.

C++: core::scoring::func::SoedingFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.SoedingFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::SoedingFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.SoedingFunc, out: pyrosetta.rosetta.std.ostream) None

show the definition of this SoedingFunc to the specified output stream.

C++: core::scoring::func::SoedingFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.SplineFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.SplineFunc, : pyrosetta.rosetta.core.scoring.func.SplineFunc) pyrosetta.rosetta.core.scoring.func.SplineFunc

C++: core::scoring::func::SplineFunc::operator=(const class core::scoring::func::SplineFunc &) –> class core::scoring::func::SplineFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) pyrosetta.rosetta.core.scoring.func.Func

returns a clone of this SplineFunc

C++: core::scoring::func::SplineFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.SplineFunc, x: float) float

Returns the value of the first derivative of this SplineFunc at distance x.

C++: core::scoring::func::SplineFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.SplineFunc, x: float) float

Returns the value of this SplineFunc evaluated at distance x.

C++: core::scoring::func::SplineFunc::func(const double) const –> double

get_KB_description(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) str

C++: core::scoring::func::SplineFunc::get_KB_description() const –> const std::string &

get_bin_size(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) float

C++: core::scoring::func::SplineFunc::get_bin_size() const –> double

get_bins_vect(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::func::SplineFunc::get_bins_vect() const –> const class utility::vector1<double, class std::allocator<double> > &

get_bins_vect_size(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) int

C++: core::scoring::func::SplineFunc::get_bins_vect_size() const –> unsigned long

get_exp_val(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) float

return SplineFunc member variables

C++: core::scoring::func::SplineFunc::get_exp_val() const –> double

get_filename(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) str

C++: core::scoring::func::SplineFunc::get_filename() const –> const std::string &

get_lower_bound_dy(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) float

C++: core::scoring::func::SplineFunc::get_lower_bound_dy() const –> double

get_lower_bound_x(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) float

C++: core::scoring::func::SplineFunc::get_lower_bound_x() const –> double

get_lower_bound_y(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) float

C++: core::scoring::func::SplineFunc::get_lower_bound_y() const –> double

get_potential_vect(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::func::SplineFunc::get_potential_vect() const –> const class utility::vector1<double, class std::allocator<double> > &

get_potential_vect_size(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) int

C++: core::scoring::func::SplineFunc::get_potential_vect_size() const –> unsigned long

get_upper_bound_dy(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) float

C++: core::scoring::func::SplineFunc::get_upper_bound_dy() const –> double

get_upper_bound_x(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) float

C++: core::scoring::func::SplineFunc::get_upper_bound_x() const –> double

get_upper_bound_y(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) float

C++: core::scoring::func::SplineFunc::get_upper_bound_y() const –> double

get_weight(self: pyrosetta.rosetta.core.scoring.func.SplineFunc) float

C++: core::scoring::func::SplineFunc::get_weight() const –> double

is_approximately_equal(self: pyrosetta.rosetta.core.scoring.func.SplineFunc, other: pyrosetta.rosetta.core.scoring.func.SplineFunc, float_threshold: float) bool
Compare this SplineFunc to another one, and determine whether

the two are equal within some threshold.

The float threshold is used for comparing floating-point values.

C++: core::scoring::func::SplineFunc::is_approximately_equal(const class core::scoring::func::SplineFunc &, const double) const –> bool

read_data(self: pyrosetta.rosetta.core.scoring.func.SplineFunc, in: pyrosetta.rosetta.std.istream) None

Initialize this SplineFunc from the given izstream.

Triggers read from disk UNLESS the first entry (filename) is “NONE” (upper or lower case or any mixture). In that case, the spline is read from the rest of the line.

C++: core::scoring::func::SplineFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.SplineFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::SplineFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.SplineFunc, out: pyrosetta.rosetta.std.ostream) None

show the definition of this SplineFunc to the specified output stream.

C++: core::scoring::func::SplineFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.SplineFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.SplineFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for this constraint.

C++: core::scoring::func::SplineFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.SquareWell2Func

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, : pyrosetta.rosetta.core.scoring.func.SquareWell2Func) pyrosetta.rosetta.core.scoring.func.SquareWell2Func

C++: core::scoring::func::SquareWell2Func::operator=(const class core::scoring::func::SquareWell2Func &) –> class core::scoring::func::SquareWell2Func &

clone(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::SquareWell2Func::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, x: float) float

C++: core::scoring::func::SquareWell2Func::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, x: float) float

C++: core::scoring::func::SquareWell2Func::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::SquareWell2Func::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::SquareWell2Func::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::SquareWell2Func::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::SquareWell2Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

well_depth(*args, **kwargs)

Overloaded function.

  1. well_depth(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func) -> float

C++: core::scoring::func::SquareWell2Func::well_depth() const –> double

  1. well_depth(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, well_depth: float) -> None

C++: core::scoring::func::SquareWell2Func::well_depth(double) –> void

x0(*args, **kwargs)

Overloaded function.

  1. x0(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func) -> float

C++: core::scoring::func::SquareWell2Func::x0() const –> double

  1. x0(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, x: float) -> None

C++: core::scoring::func::SquareWell2Func::x0(double) –> void

x_range(*args, **kwargs)

Overloaded function.

  1. x_range(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func) -> float

C++: core::scoring::func::SquareWell2Func::x_range() const –> double

  1. x_range(self: pyrosetta.rosetta.core.scoring.func.SquareWell2Func, x_range: float) -> None

C++: core::scoring::func::SquareWell2Func::x_range(double) –> void

class pyrosetta.rosetta.core.scoring.func.SquareWellFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc, : pyrosetta.rosetta.core.scoring.func.SquareWellFunc) pyrosetta.rosetta.core.scoring.func.SquareWellFunc

C++: core::scoring::func::SquareWellFunc::operator=(const class core::scoring::func::SquareWellFunc &) –> class core::scoring::func::SquareWellFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::SquareWellFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc, x: float) float

C++: core::scoring::func::SquareWellFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc, x: float) float

C++: core::scoring::func::SquareWellFunc::func(const double) const –> double

read_data(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::SquareWellFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::SquareWellFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::SquareWellFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::SquareWellFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

well_depth(*args, **kwargs)

Overloaded function.

  1. well_depth(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc) -> float

C++: core::scoring::func::SquareWellFunc::well_depth() const –> double

  1. well_depth(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc, well_depth: float) -> None

C++: core::scoring::func::SquareWellFunc::well_depth(double) –> void

x0(*args, **kwargs)

Overloaded function.

  1. x0(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc) -> float

C++: core::scoring::func::SquareWellFunc::x0() const –> double

  1. x0(self: pyrosetta.rosetta.core.scoring.func.SquareWellFunc, x: float) -> None

C++: core::scoring::func::SquareWellFunc::x0(double) –> void

class pyrosetta.rosetta.core.scoring.func.SumFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

add_func(self: pyrosetta.rosetta.core.scoring.func.SumFunc, f: pyrosetta.rosetta.core.scoring.func.Func) None

C++: core::scoring::func::SumFunc::add_func(class std::shared_ptr<class core::scoring::func::Func>) –> void

assign(self: pyrosetta.rosetta.core.scoring.func.SumFunc, : pyrosetta.rosetta.core.scoring.func.SumFunc) pyrosetta.rosetta.core.scoring.func.SumFunc

C++: core::scoring::func::SumFunc::operator=(const class core::scoring::func::SumFunc &) –> class core::scoring::func::SumFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.SumFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::SumFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.SumFunc, x: float) float

C++: core::scoring::func::SumFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.SumFunc, x: float) float

C++: core::scoring::func::SumFunc::func(const double) const –> double

funcs(*args, **kwargs)

Overloaded function.

  1. funcs(self: pyrosetta.rosetta.core.scoring.func.SumFunc) -> pyrosetta.rosetta.utility.vector1_std_shared_ptr_core_scoring_func_Func_t

C++: core::scoring::func::SumFunc::funcs() const –> class utility::vector1<class std::shared_ptr<class core::scoring::func::Func>, class std::allocator<class std::shared_ptr<class core::scoring::func::Func> > >

  1. funcs(self: pyrosetta.rosetta.core.scoring.func.SumFunc, funcs: pyrosetta.rosetta.utility.vector1_std_shared_ptr_core_scoring_func_Func_t) -> None

C++: core::scoring::func::SumFunc::funcs(class utility::vector1<class std::shared_ptr<class core::scoring::func::Func>, class std::allocator<class std::shared_ptr<class core::scoring::func::Func> > >) –> void

read_data(self: pyrosetta.rosetta.core.scoring.func.SumFunc, : pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::SumFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.SumFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::SumFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
shows the definition of this function, usually the string type of

function and the parameters passed in to the constructor.

C++: core::scoring::func::Func::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.TopOutFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

assign(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, : pyrosetta.rosetta.core.scoring.func.TopOutFunc) pyrosetta.rosetta.core.scoring.func.TopOutFunc

C++: core::scoring::func::TopOutFunc::operator=(const class core::scoring::func::TopOutFunc &) –> class core::scoring::func::TopOutFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::TopOutFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, x: float) float

C++: core::scoring::func::TopOutFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, x: float) float

C++: core::scoring::func::TopOutFunc::func(const double) const –> double

limit(*args, **kwargs)

Overloaded function.

  1. limit(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc) -> float

C++: core::scoring::func::TopOutFunc::limit() const –> double

  1. limit(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, limit: float) -> None

C++: core::scoring::func::TopOutFunc::limit(double) –> void

read_data(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, in: pyrosetta.rosetta.std.istream) None

C++: core::scoring::func::TopOutFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::TopOutFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, out: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::func::TopOutFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, out: pyrosetta.rosetta.std.ostream, x: float, verbose_level: int, threshold: float) -> int

C++: core::scoring::func::TopOutFunc::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

weight(*args, **kwargs)

Overloaded function.

  1. weight(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc) -> float

C++: core::scoring::func::TopOutFunc::weight() const –> double

  1. weight(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, weight: float) -> None

C++: core::scoring::func::TopOutFunc::weight(double) –> void

x0(*args, **kwargs)

Overloaded function.

  1. x0(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc) -> float

C++: core::scoring::func::TopOutFunc::x0() const –> double

  1. x0(self: pyrosetta.rosetta.core.scoring.func.TopOutFunc, x: float) -> None

C++: core::scoring::func::TopOutFunc::x0(double) –> void

class pyrosetta.rosetta.core.scoring.func.USOGFunc

Bases: pyrosetta.rosetta.core.scoring.func.Func

Unnormalized, unbounded sum of Gaussians constraint

assign(self: pyrosetta.rosetta.core.scoring.func.USOGFunc, : pyrosetta.rosetta.core.scoring.func.USOGFunc) pyrosetta.rosetta.core.scoring.func.USOGFunc

C++: core::scoring::func::USOGFunc::operator=(const class core::scoring::func::USOGFunc &) –> class core::scoring::func::USOGFunc &

clone(self: pyrosetta.rosetta.core.scoring.func.USOGFunc) pyrosetta.rosetta.core.scoring.func.Func

C++: core::scoring::func::USOGFunc::clone() const –> class std::shared_ptr<class core::scoring::func::Func>

dfunc(self: pyrosetta.rosetta.core.scoring.func.USOGFunc, x: float) float

Returns a value representing the derivative of this function evaluated at a given point

C++: core::scoring::func::USOGFunc::dfunc(const double) const –> double

estimate_dfunc(*args, **kwargs)

Overloaded function.

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+1e-05).

C++: core::scoring::func::Func::estimate_dfunc(const double) const –> double

  1. estimate_dfunc(self: pyrosetta.rosetta.core.scoring.func.Func, r: float, h: float) -> float

Estimates the derivative of this function at a given radius by

calculating the slope of the secant line from func(r) and func(r+h).

C++: core::scoring::func::Func::estimate_dfunc(const double, const double) const –> double

func(self: pyrosetta.rosetta.core.scoring.func.USOGFunc, x: float) float

Returns a value representing this function evaluated at a given point

C++: core::scoring::func::USOGFunc::func(const double) const –> double

numGaussians(self: pyrosetta.rosetta.core.scoring.func.USOGFunc) int

Returns the number of Gaussian components

C++: core::scoring::func::USOGFunc::numGaussians() const –> unsigned long

read_data(self: pyrosetta.rosetta.core.scoring.func.USOGFunc, in: pyrosetta.rosetta.std.istream) None

Initializes this function from the given input stream

C++: core::scoring::func::USOGFunc::read_data(std::istream &) –> void

same_type_as_me(self: pyrosetta.rosetta.core.scoring.func.USOGFunc, other: pyrosetta.rosetta.core.scoring.func.Func) bool

C++: core::scoring::func::USOGFunc::same_type_as_me(const class core::scoring::func::Func &) const –> bool

show(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream) None
Prints out space-delimited columns for r, func, dfunc and

dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ).

C++: core::scoring::func::Func::show(std::ostream &) const –> void

show_definition(self: pyrosetta.rosetta.core.scoring.func.USOGFunc, out: pyrosetta.rosetta.std.ostream) None

Writes the definition of this function to the specific output stream

C++: core::scoring::func::USOGFunc::show_definition(std::ostream &) const –> void

show_violations(*args, **kwargs)

Overloaded function.

  1. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int) -> int

  2. show_violations(self: pyrosetta.rosetta.core.scoring.func.Func, out: pyrosetta.rosetta.std.ostream, r: float, verbose_level: int, threshold: float) -> int

show some sort of stringified representation of the violations for

this constraint.

C++: core::scoring::func::Func::show_violations(std::ostream &, double, unsigned long, double) const –> unsigned long

class pyrosetta.rosetta.core.scoring.func.XYZ_Func

Bases: pybind11_builtins.pybind11_object

just a simple class that takes an AtomID and returns a Vector (position)

assign(self: pyrosetta.rosetta.core.scoring.func.XYZ_Func, : pyrosetta.rosetta.core.scoring.func.XYZ_Func) pyrosetta.rosetta.core.scoring.func.XYZ_Func

C++: core::scoring::func::XYZ_Func::operator=(const class core::scoring::func::XYZ_Func &) –> class core::scoring::func::XYZ_Func &

residue(self: pyrosetta.rosetta.core.scoring.func.XYZ_Func, seqpos: int) pyrosetta.rosetta.core.conformation.Residue

C++: core::scoring::func::XYZ_Func::residue(unsigned long) const –> const class core::conformation::Residue &

pyrosetta.rosetta.core.scoring.func.readValueOrDie(in: pyrosetta.rosetta.std.istream) float
Reads and returns a single floating point value from the specified

input stream, aborting if either the failbit or badbit is flipped.

C++: core::scoring::func::readValueOrDie(std::istream &) –> double