numeric

• conversions
• crick_equations
• expression_parser
• fourier
• geometry
• histograms
• interpolation
• kdtree
• kinematic_closure
• linear_algebra
• model_quality
• nls
• random
• statistics

Bindings for ::numeric namespace

class pyrosetta.rosetta.numeric.MultiDimensionalHistogram

Bases: pybind11_builtins.pybind11_object

a class for accumulating a histogram of one or more numeric variables

__delattr__

Implement delattr(self, name).

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init__(*args, **kwargs)

Overloaded function.

1. __init__(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) -> None
2. __init__(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, num_dims: int) -> None
3. __init__(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, arg0: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) -> None

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) → str

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

assign(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, rhs: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) → pyrosetta.rosetta.numeric.MultiDimensionalHistogram

operator=

C++: numeric::MultiDimensionalHistogram::operator=(const class numeric::MultiDimensionalHistogram &) –> class numeric::MultiDimensionalHistogram &

collapse(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, dimensions: pyrosetta.rosetta.utility.vector1_unsigned_long) → pyrosetta.rosetta.numeric.MultiDimensionalHistogram

C++: numeric::MultiDimensionalHistogram::collapse(class utility::vector1<unsigned long, class std::allocator<unsigned long> >) const –> class numeric::MultiDimensionalHistogram

counts(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) → pyrosetta.rosetta.utility.vector0_unsigned_long

C++: numeric::MultiDimensionalHistogram::counts() const –> const class utility::vector0<unsigned long, class std::allocator<unsigned long> > &

dim_labels(*args, **kwargs)

Overloaded function.

1. dim_labels(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) -> pyrosetta.rosetta.utility.vector1_std_string

C++: numeric::MultiDimensionalHistogram::dim_labels() const –> class utility::vector1<std::string, class std::allocator<std::string > >

2. dim_labels(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, dim_labels1: pyrosetta.rosetta.utility.vector1_std_string) -> None

C++: numeric::MultiDimensionalHistogram::dim_labels(const class utility::vector1<class std::basic_string<char>, class std::allocator<class std::basic_string<char> > > &) –> void

end(*args, **kwargs)

Overloaded function.

1. end(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) -> pyrosetta.rosetta.utility.vector1_double

C++: numeric::MultiDimensionalHistogram::end() const –> class utility::vector1<double, class std::allocator<double> >

2. end(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, end: float) -> None

C++: numeric::MultiDimensionalHistogram::end(double) –> void

3. end(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, end1: pyrosetta.rosetta.utility.vector1_double) -> None

C++: numeric::MultiDimensionalHistogram::end(const class utility::vector1<double, class std::allocator<double> > &) –> void

4. end(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, dim: int, end: float) -> None

C++: numeric::MultiDimensionalHistogram::end(unsigned long, double) –> void

label(*args, **kwargs)

Overloaded function.

1. label(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) -> str

C++: numeric::MultiDimensionalHistogram::label() const –> const std::string &

2. label(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, label: str) -> None

C++: numeric::MultiDimensionalHistogram::label(const class std::basic_string<char> &) –> void

mean_squared_error(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, expected_1d_frequencies: pyrosetta.rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t) → float

C++: numeric::MultiDimensionalHistogram::mean_squared_error(const class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > &) –> double

num_bins(*args, **kwargs)

Overloaded function.

1. num_bins(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) -> pyrosetta.rosetta.utility.vector1_unsigned_long

C++: numeric::MultiDimensionalHistogram::num_bins() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

2. num_bins(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, num_bins: int) -> None

C++: numeric::MultiDimensionalHistogram::num_bins(unsigned long) –> void

3. num_bins(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, num_bins1: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None

C++: numeric::MultiDimensionalHistogram::num_bins(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void

4. num_bins(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, dim: int, num_bins: int) -> None

C++: numeric::MultiDimensionalHistogram::num_bins(unsigned long, unsigned long) –> void

num_dimensions(*args, **kwargs)

Overloaded function.

1. num_dimensions(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) -> int

C++: numeric::MultiDimensionalHistogram::num_dimensions() const –> unsigned long

2. num_dimensions(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, num: int) -> None

C++: numeric::MultiDimensionalHistogram::num_dimensions(unsigned long) –> void

range(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, dim: int, start: float, end: float) → None

C++: numeric::MultiDimensionalHistogram::range(unsigned long, double, double) –> void

record(*args, **kwargs)

Overloaded function.

1. record(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, values: pyrosetta.rosetta.utility.vector1_double) -> None

C++: numeric::MultiDimensionalHistogram::record(const class utility::vector1<double, class std::allocator<double> > &) –> void

2. record(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, value: float) -> None

C++: numeric::MultiDimensionalHistogram::record(double) –> void

reset_counts(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) → None

C++: numeric::MultiDimensionalHistogram::reset_counts() –> void

set_dimension(*args, **kwargs)

Overloaded function.

1. set_dimension(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, dim: int, num_bins: int, start: float, end: float) -> None
2. set_dimension(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, dim: int, num_bins: int, start: float, end: float, label: str) -> None

C++: numeric::MultiDimensionalHistogram::set_dimension(unsigned long, unsigned long, double, double, class std::basic_string<char>) –> void

start(*args, **kwargs)

Overloaded function.

1. start(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, start: float) -> None

C++: numeric::MultiDimensionalHistogram::start(double) –> void

2. start(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) -> pyrosetta.rosetta.utility.vector1_double

C++: numeric::MultiDimensionalHistogram::start() const –> class utility::vector1<double, class std::allocator<double> >

3. start(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, start1: pyrosetta.rosetta.utility.vector1_double) -> None

C++: numeric::MultiDimensionalHistogram::start(const class utility::vector1<double, class std::allocator<double> > &) –> void

4. start(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram, dim: int, start: float) -> None

C++: numeric::MultiDimensionalHistogram::start(unsigned long, double) –> void

total_counts(self: pyrosetta.rosetta.numeric.MultiDimensionalHistogram) → int

C++: numeric::MultiDimensionalHistogram::total_counts() const –> unsigned long

pyrosetta.rosetta.numeric.access_Real_MathNTensor(tensorbase: pyrosetta.rosetta.numeric.MathNTensorBase_double_t, position: pyrosetta.rosetta.utility.vector1_unsigned_long) → float

Utility function to access an entry in a MathNTensor of arbitrary dimensionality unknown at compile time, given a MathNTensorBaseOP.

Vikram K. Mulligan (vmullig.edu).

C++: numeric::access_Real_MathNTensor(class std::shared_ptr<class numeric::MathNTensorBase<double> >, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> double &

pyrosetta.rosetta.numeric.angle_degrees(*args, **kwargs)

Overloaded function.

1. angle_degrees(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::angle_degrees(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

2. angle_degrees(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::angle_degrees(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.angle_degrees_double(*args, **kwargs)

Overloaded function.

1. angle_degrees_double(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::angle_degrees_double(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

2. angle_degrees_double(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::angle_degrees_double(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.angle_radians(*args, **kwargs)

Overloaded function.

1. angle_radians(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, angle: float) -> None

C++: numeric::angle_radians(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, double &) –> void

2. angle_radians(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::angle_radians(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

3. angle_radians(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::angle_radians(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.angle_radians_double(*args, **kwargs)

Overloaded function.

1. angle_radians_double(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::angle_radians_double(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

2. angle_radians_double(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::angle_radians_double(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.boltzmann_accept_probability(score_before: float, score_after: float, temperature: float) → float

Calculates the acceptance probability of a given score-change at

the given temperature, generally used in simulated annealing algorithms. Returns a value in the range (0-1).

C++: numeric::boltzmann_accept_probability(const double, const double, const double) –> double

pyrosetta.rosetta.numeric.ccd_angle(F: pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t, M: pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t, axis_atom: pyrosetta.rosetta.numeric.xyzVector_double_t, theta_hat: pyrosetta.rosetta.numeric.xyzVector_double_t, alpha: float, S: float) → None

C++: numeric::ccd_angle(const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > > &, const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > > &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, double &, double &) –> void

pyrosetta.rosetta.numeric.const_access_Real_MathNTensor(tensorbase: pyrosetta.rosetta.numeric.MathNTensorBase_double_t, position: pyrosetta.rosetta.utility.vector1_unsigned_long) → float

Utility function to get const access to an entry in a MathNTensor of arbitrary dimensionality unknown at compile time, given a MathNTensorBaseCOP.

Vikram K. Mulligan (vmullig.edu).

C++: numeric::const_access_Real_MathNTensor(class std::shared_ptr<const class numeric::MathNTensorBase<double> >, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> const double &

pyrosetta.rosetta.numeric.cross(a: pyrosetta.rosetta.numeric.xyzVector_double_t, b: pyrosetta.rosetta.numeric.xyzVector_double_t) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: numeric::cross(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> class numeric::xyzVector<double>

pyrosetta.rosetta.numeric.cube(x: float) → float

C++: numeric::cube(const double &) –> double

pyrosetta.rosetta.numeric.dihedral(*args, **kwargs)

Overloaded function.

1. dihedral(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t, angle: float) -> None

C++: numeric::dihedral(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, double &) –> void

2. dihedral(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::dihedral(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.dihedral_degrees(*args, **kwargs)

Overloaded function.

1. dihedral_degrees(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t, angle: float) -> None

C++: numeric::dihedral_degrees(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, double &) –> void

2. dihedral_degrees(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::dihedral_degrees(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.dihedral_degrees_double(*args, **kwargs)

Overloaded function.

1. dihedral_degrees_double(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t, angle: float) -> None

C++: numeric::dihedral_degrees_double(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, double &) –> void

2. dihedral_degrees_double(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::dihedral_degrees_double(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.dihedral_double(*args, **kwargs)

Overloaded function.

1. dihedral_double(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t, angle: float) -> None

C++: numeric::dihedral_double(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, double &) –> void

2. dihedral_double(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::dihedral_double(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.dihedral_radians(*args, **kwargs)

Overloaded function.

1. dihedral_radians(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t, angle: float) -> None

C++: numeric::dihedral_radians(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, double &) –> void

2. dihedral_radians(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::dihedral_radians(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.dihedral_radians_double(*args, **kwargs)

Overloaded function.

1. dihedral_radians_double(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t, angle: float) -> None

C++: numeric::dihedral_radians_double(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, double &) –> void

2. dihedral_radians_double(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, p3: pyrosetta.rosetta.numeric.xyzVector_double_t, p4: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: numeric::dihedral_radians_double(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.dot(a: pyrosetta.rosetta.numeric.xyzVector_double_t, b: pyrosetta.rosetta.numeric.xyzVector_double_t) → float

C++: numeric::dot(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.numeric.eigenvalue_jacobi(*args, **kwargs)

Overloaded function.

1. eigenvalue_jacobi(a: pyrosetta.rosetta.numeric.xyzMatrix_float_t, tol: float) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::eigenvalue_jacobi(const class numeric::xyzMatrix<float> &, const float &) –> class numeric::xyzVector<float>

2. eigenvalue_jacobi(a: pyrosetta.rosetta.numeric.xyzMatrix_double_t, tol: float) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: numeric::eigenvalue_jacobi(const class numeric::xyzMatrix<double> &, const double &) –> class numeric::xyzVector<double>

pyrosetta.rosetta.numeric.eigenvector_jacobi(*args, **kwargs)

Overloaded function.

1. eigenvector_jacobi(a: pyrosetta.rosetta.numeric.xyzMatrix_float_t, tol: float, J: pyrosetta.rosetta.numeric.xyzMatrix_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::eigenvector_jacobi(const class numeric::xyzMatrix<float> &, const float &, class numeric::xyzMatrix<float> &) –> class numeric::xyzVector<float>

2. eigenvector_jacobi(a: pyrosetta.rosetta.numeric.xyzMatrix_double_t, tol: float, J: pyrosetta.rosetta.numeric.xyzMatrix_double_t) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: numeric::eigenvector_jacobi(const class numeric::xyzMatrix<double> &, const double &, class numeric::xyzMatrix<double> &) –> class numeric::xyzVector<double>

pyrosetta.rosetta.numeric.equal_by_epsilon(value1: float, value2: float, epsilon: float) → bool

are two Real values are equal up to some epsilon

implemented only for Reals, to prevent unsigned hassle (Barak 30/6/2009)

C++: numeric::equal_by_epsilon(double, double, double) –> bool

pyrosetta.rosetta.numeric.get_Real_MathNTensor_dimension_size(tensorbase: pyrosetta.rosetta.numeric.MathNTensorBase_double_t, dimension_index: int) → int

Given a MathNTensorBaseCOP, get the size along one dimension.

Vikram K. Mulligan (vmullig.edu).

C++: numeric::get_Real_MathNTensor_dimension_size(class std::shared_ptr<const class numeric::MathNTensorBase<double> >, const unsigned long) –> unsigned long

pyrosetta.rosetta.numeric.hsv_to_rgb(*args, **kwargs)

Overloaded function.

1. hsv_to_rgb(h: float, s: float, v: float) -> pyrosetta.rosetta.numeric.xyzVector_double_t

convert an HSV color to RGB

C++: numeric::hsv_to_rgb(double, double, double) –> class numeric::xyzVector<double>

2. hsv_to_rgb(hsv_triplet: pyrosetta.rosetta.numeric.xyzVector_double_t) -> pyrosetta.rosetta.numeric.xyzVector_double_t

convert an HSV color to RGB

C++: numeric::hsv_to_rgb(class numeric::xyzVector<double>) –> class numeric::xyzVector<double>

pyrosetta.rosetta.numeric.inplace_product(*args, **kwargs)

Overloaded function.

1. inplace_product(m: numeric::xyzMatrix<float>, v: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::inplace_product(const class numeric::xyzMatrix<float> &, class numeric::xyzVector<float> &) –> class numeric::xyzVector<float> &

2. inplace_product(m: numeric::xyzMatrix<double>, v: pyrosetta.rosetta.numeric.xyzVector_double_t) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: numeric::inplace_product(const class numeric::xyzMatrix<double> &, class numeric::xyzVector<double> &) –> class numeric::xyzVector<double> &

pyrosetta.rosetta.numeric.inplace_transpose_product(*args, **kwargs)

Overloaded function.

1. inplace_transpose_product(m: numeric::xyzMatrix<float>, v: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::inplace_transpose_product(const class numeric::xyzMatrix<float> &, class numeric::xyzVector<float> &) –> class numeric::xyzVector<float> &

2. inplace_transpose_product(m: numeric::xyzMatrix<double>, v: pyrosetta.rosetta.numeric.xyzVector_double_t) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: numeric::inplace_transpose_product(const class numeric::xyzMatrix<double> &, class numeric::xyzVector<double> &) –> class numeric::xyzVector<double> &

pyrosetta.rosetta.numeric.inverse(*args, **kwargs)

Overloaded function.

1. inverse(a: pyrosetta.rosetta.numeric.xyzMatrix_float_t) -> pyrosetta.rosetta.numeric.xyzMatrix_float_t

C++: numeric::inverse(const class numeric::xyzMatrix<float> &) –> class numeric::xyzMatrix<float>

2. inverse(a: pyrosetta.rosetta.numeric.xyzMatrix_double_t) -> pyrosetta.rosetta.numeric.xyzMatrix_double_t

C++: numeric::inverse(const class numeric::xyzMatrix<double> &) –> class numeric::xyzMatrix<double>

pyrosetta.rosetta.numeric.is_a_finitenumber(s: float, a: float, b: float) → bool

C++: numeric::is_a_finitenumber(double, double, double) –> bool

pyrosetta.rosetta.numeric.log(x: float, base: float) → float

Computes log(x) in the given base

C++: numeric::log(double, double) –> double

pyrosetta.rosetta.numeric.max(*args, **kwargs)

Overloaded function.

1. max(a: int, b: int) -> int

max( short int, short int )

C++: numeric::max(const short, const short) –> short

2. max(a: int, b: int) -> int

max( int, int )

C++: numeric::max(const int, const int) –> int

3. max(a: int, b: int) -> int

max( long int, long int )

C++: numeric::max(const long, const long) –> long

4. max(a: int, b: int) -> int

max( unsigned short int, unsigned short int )

C++: numeric::max(const unsigned short, const unsigned short) –> unsigned short

5. max(a: int, b: int) -> int

max( unsigned int, unsigned int )

C++: numeric::max(const unsigned int, const unsigned int) –> unsigned int

6. max(a: int, b: int) -> int

max( unsigned long int, unsigned long int )

C++: numeric::max(const unsigned long, const unsigned long) –> unsigned long

7. max(a: float, b: float) -> float

max( float, float )

C++: numeric::max(const float, const float) –> float

8. max(a: float, b: float) -> float

max( double, double )

C++: numeric::max(const double, const double) –> double

9. max(a: float, b: float) -> float

max( long double, long double )

C++: numeric::max(const long double, const long double) –> long double

pyrosetta.rosetta.numeric.mean(values: pyrosetta.rosetta.utility.vector1_double) → float

C++: numeric::mean(const class utility::vector1<double, class std::allocator<double> > &) –> double

pyrosetta.rosetta.numeric.median(values: pyrosetta.rosetta.utility.vector1_double) → float

Returns the median from a vector1 of Real values.

C++: numeric::median(const class utility::vector1<double, class std::allocator<double> > &) –> double

pyrosetta.rosetta.numeric.min(*args, **kwargs)

Overloaded function.

1. min(a: int, b: int) -> int

min( short int, short int )

C++: numeric::min(const short, const short) –> short

2. min(a: int, b: int) -> int

min( int, int )

C++: numeric::min(const int, const int) –> int

3. min(a: int, b: int) -> int

min( long int, long int )

C++: numeric::min(const long, const long) –> long

4. min(a: int, b: int) -> int

min( unsigned short int, unsigned short int )

C++: numeric::min(const unsigned short, const unsigned short) –> unsigned short

5. min(a: int, b: int) -> int

min( unsigned int, unsigned int )

C++: numeric::min(const unsigned int, const unsigned int) –> unsigned int

6. min(a: int, b: int) -> int

min( unsigned long int, unsigned long int )

C++: numeric::min(const unsigned long, const unsigned long) –> unsigned long

7. min(a: float, b: float) -> float

min( float, float )

C++: numeric::min(const float, const float) –> float

8. min(a: float, b: float) -> float

min( double, double )

C++: numeric::min(const double, const double) –> double

9. min(a: float, b: float) -> float

min( long double, long double )

C++: numeric::min(const long double, const long double) –> long double

pyrosetta.rosetta.numeric.mod(*args, **kwargs)

Overloaded function.

1. mod(x: int, y: int) -> int

C++: numeric::mod(const long &, const long &) –> long

2. mod(x: int, y: int) -> int

C++: numeric::mod(const unsigned long &, const unsigned long &) –> unsigned long

pyrosetta.rosetta.numeric.modulo(*args, **kwargs)

Overloaded function.

1. modulo(x: int, y: int) -> int

C++: numeric::modulo(const long &, const long &) –> long

2. modulo(x: float, y: float) -> float

C++: numeric::modulo(const double &, const double &) –> double

pyrosetta.rosetta.numeric.nearest_ssize(x: float) → int

C++: numeric::nearest_ssize(const long double &) –> long

pyrosetta.rosetta.numeric.nonnegative_principal_angle_degrees(angle: float) → float

C++: numeric::nonnegative_principal_angle_degrees(const double &) –> double

pyrosetta.rosetta.numeric.outer_product(*args, **kwargs)

Overloaded function.

1. outer_product(a: pyrosetta.rosetta.numeric.xyzVector_float_t, b: pyrosetta.rosetta.numeric.xyzVector_float_t) -> numeric::xyzMatrix<float>

C++: numeric::outer_product(const class numeric::xyzVector<float> &, const class numeric::xyzVector<float> &) –> class numeric::xyzMatrix<float>

2. outer_product(a: pyrosetta.rosetta.numeric.xyzVector_double_t, b: pyrosetta.rosetta.numeric.xyzVector_double_t) -> numeric::xyzMatrix<double>

C++: numeric::outer_product(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> class numeric::xyzMatrix<double>

pyrosetta.rosetta.numeric.principal_angle_degrees(angle: float) → float

C++: numeric::principal_angle_degrees(const double &) –> double

pyrosetta.rosetta.numeric.principal_components_and_eigenvalues_ndimensions(coords: pyrosetta.rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, shift_center: bool) → Tuple[pyrosetta.rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, pyrosetta.rosetta.utility.vector1_double]

Return a pair containing a matrix (vector of vectors) of all of the

principal components and a vector of the corresponding eigenvalues of the given set of points in n-dimensional space.

Note that this does not assume that the input vectors are 3-dimensional. If shift_center=false, the mean vector is not subtracted by this function. (Failure to subtract mean vector prior to function call will produce odd results, however.)

Vikram K. Mulligan (vmullig.edu)

C++: numeric::principal_components_and_eigenvalues_ndimensions(const class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > &, const bool) –> struct std::pair<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > >, class utility::vector1<double, class std::allocator<double> > >

pyrosetta.rosetta.numeric.print_probabilities(probs: pyrosetta.rosetta.utility.vector1_double, out: pyrosetta.rosetta.std.ostream) → None

Writes probs to the specified ostream

C++: numeric::print_probabilities(const class utility::vector1<double, class std::allocator<double> > &, class std::basic_ostream<char> &) –> void

pyrosetta.rosetta.numeric.product(*args, **kwargs)

Overloaded function.

1. product(m: numeric::xyzMatrix<float>, v: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::product(const class numeric::xyzMatrix<float> &, const class numeric::xyzVector<float> &) –> class numeric::xyzVector<float>

2. product(m: numeric::xyzMatrix<double>, v: pyrosetta.rosetta.numeric.xyzVector_double_t) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: numeric::product(const class numeric::xyzMatrix<double> &, const class numeric::xyzVector<double> &) –> class numeric::xyzVector<double>

pyrosetta.rosetta.numeric.projection_matrix(*args, **kwargs)

Overloaded function.

1. projection_matrix(v: pyrosetta.rosetta.numeric.xyzVector_float_t) -> numeric::xyzMatrix<float>

C++: numeric::projection_matrix(const class numeric::xyzVector<float> &) –> class numeric::xyzMatrix<float>

2. projection_matrix(v: pyrosetta.rosetta.numeric.xyzVector_double_t) -> numeric::xyzMatrix<double>

C++: numeric::projection_matrix(const class numeric::xyzVector<double> &) –> class numeric::xyzMatrix<double>

pyrosetta.rosetta.numeric.read_probabilities_or_die(filename: str, probs: pyrosetta.rosetta.utility.vector1_double) → None

Loads normalized, per-residue probabilities from filename,

storing the result in probs. Assumes line i holds the probability of sampling residue i. There must be 1 line for each residue in the pose on which this data will be used.

C++: numeric::read_probabilities_or_die(const class std::basic_string<char> &, class utility::vector1<double, class std::allocator<double> > *) –> void

pyrosetta.rosetta.numeric.rgb_to_hsv(*args, **kwargs)

Overloaded function.

1. rgb_to_hsv(r: float, b: float, g: float) -> pyrosetta.rosetta.numeric.xyzVector_double_t

convert an RGB color to HSV

C++: numeric::rgb_to_hsv(double, double, double) –> class numeric::xyzVector<double>

2. rgb_to_hsv(rgb_triplet: pyrosetta.rosetta.numeric.xyzVector_double_t) -> pyrosetta.rosetta.numeric.xyzVector_double_t

convert and RGB color to HSV

C++: numeric::rgb_to_hsv(class numeric::xyzVector<double>) –> class numeric::xyzVector<double>

pyrosetta.rosetta.numeric.rotation_axis(*args, **kwargs)

Overloaded function.

1. rotation_axis(R: pyrosetta.rosetta.numeric.xyzMatrix_float_t, theta: float) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::rotation_axis(const class numeric::xyzMatrix<float> &, float &) –> class numeric::xyzVector<float>

2. rotation_axis(R: pyrosetta.rosetta.numeric.xyzMatrix_double_t, theta: float) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: numeric::rotation_axis(const class numeric::xyzMatrix<double> &, double &) –> class numeric::xyzVector<double>

pyrosetta.rosetta.numeric.rotation_matrix(*args, **kwargs)

Overloaded function.

1. rotation_matrix(axis: pyrosetta.rosetta.numeric.xyzVector_float_t, theta: float) -> numeric::xyzMatrix<float>

C++: numeric::rotation_matrix(const class numeric::xyzVector<float> &, const float &) –> class numeric::xyzMatrix<float>

2. rotation_matrix(axis: pyrosetta.rosetta.numeric.xyzVector_double_t, theta: float) -> numeric::xyzMatrix<double>

C++: numeric::rotation_matrix(const class numeric::xyzVector<double> &, const double &) –> class numeric::xyzMatrix<double>

pyrosetta.rosetta.numeric.sign(x: float) → int

C++: numeric::sign(const double &) –> int

pyrosetta.rosetta.numeric.sin_cos_range(*args, **kwargs)

Overloaded function.

1. sin_cos_range(x: float) -> float
2. sin_cos_range(x: float, tol: float) -> float

C++: numeric::sin_cos_range(const double &, const double &) –> double

pyrosetta.rosetta.numeric.transpose_product(*args, **kwargs)

Overloaded function.

1. transpose_product(m: numeric::xyzMatrix<float>, v: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::transpose_product(const class numeric::xyzMatrix<float> &, const class numeric::xyzVector<float> &) –> class numeric::xyzVector<float>

2. transpose_product(m: numeric::xyzMatrix<double>, v: pyrosetta.rosetta.numeric.xyzVector_double_t) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: numeric::transpose_product(const class numeric::xyzMatrix<double> &, const class numeric::xyzVector<double> &) –> class numeric::xyzVector<double>

pyrosetta.rosetta.numeric.urs_R2ang(R: pyrosetta.rosetta.numeric.xyzMatrix_double_t) → float

C++: numeric::urs_R2ang(class numeric::xyzMatrix<double>) –> double

pyrosetta.rosetta.numeric.urs_norm4(a: float, b: float, c: float, d: float) → float

C++: numeric::urs_norm4(double, double, double, double) –> double

pyrosetta.rosetta.numeric.z_rotation_matrix(theta: float) → pyrosetta.rosetta.numeric.xyzMatrix_double_t

C++: numeric::z_rotation_matrix(const double &) –> class numeric::xyzMatrix<double>

pyrosetta.rosetta.numeric.z_rotation_matrix_degrees(theta: float) → pyrosetta.rosetta.numeric.xyzMatrix_double_t

C++: numeric::z_rotation_matrix_degrees(const double &) –> class numeric::xyzMatrix<double>