hashing¶

Bindings for numeric::geometry::hashing namespace

class pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner¶

Bases: pybind11_builtins.pybind11_object

Bin the six degrees of freedom that describe the downstream geometry of a hit. These degrees of freedom are, in order, the x, y and z coordinates of orientation atom3, and the phi, psi, and theta euler angles that describe the orientation of the coordinate frame at orientation atom 3. The binner is responsible for maintaining the lower corner of the 6-d space – the first two Euler angles wrap at 360; the third Euler angle, theta, does not wrap in the same way. See the comments for the bin6 method.

assign(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, : pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner) → pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::operator=(const class numeric::geometry::hashing::SixDCoordinateBinner &) –> class numeric::geometry::hashing::SixDCoordinateBinner &

bin6(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, values: pyrosetta.rosetta.utility.fixedsizearray1_double_6_t) → pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_6_t¶

Construct the discrete representation of a six-dimensional vector: of reals representing an xyz coordinate in its first three dimensions and a set of three Euler angles in the last three dimensions. Precondition: The xyz coordinate must be inside the bounding box of this binner. Precondition: The euler angles should be in degrees; the first two should be in the range between 0 and 360, the third should be in the range from 0 to 180.

C++: numeric::geometry::hashing::SixDCoordinateBinner::bin6(const class utility::fixedsizearray1<double, 6> &) const –> class utility::fixedsizearray1<unsigned long, 6>

bin_center_point(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, bin: pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_6_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_6_t¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::bin_center_point(const class utility::fixedsizearray1<unsigned long, 6> &) const –> class utility::fixedsizearray1<double, 6>

bin_from_index(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, index: int) → pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_6_t¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::bin_from_index(unsigned long) const –> class utility::fixedsizearray1<unsigned long, 6>

bin_index(*args, **kwargs)¶

Overloaded function.

bin_index(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, bin: pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_6_t) -> int

functor used by boost (and sgi’s stl) hash classes.

C++: numeric::geometry::hashing::SixDCoordinateBinner::bin_index(const class utility::fixedsizearray1<unsigned long, 6> &) const –> unsigned long

bin_index(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, values: pyrosetta.rosetta.utility.fixedsizearray1_double_6_t) -> int

compute the bin index (64-bit int) for a 6D point.

C++: numeric::geometry::hashing::SixDCoordinateBinner::bin_index(const class utility::fixedsizearray1<double, 6> &) const –> unsigned long

bin_widths(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner) → pyrosetta.rosetta.utility.fixedsizearray1_double_6_t¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::bin_widths() const –> const class utility::fixedsizearray1<double, 6> &

bounding_box(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner) → pyrosetta.rosetta.numeric.geometry.BoundingBox_numeric_xyzVector_double_t¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::bounding_box() const –> const class numeric::geometry::BoundingBox<class numeric::xyzVector<double> > &

bounding_volume_from_index(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, index: int) → pyrosetta.rosetta.numeric.geometry.BoundingBox_numeric_xyzVector_double_t¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::bounding_volume_from_index(unsigned long) const –> class numeric::geometry::BoundingBox<class numeric::xyzVector<double> >

contains(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, point: pyrosetta.rosetta.utility.fixedsizearray1_double_6_t) → bool¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::contains(const class utility::fixedsizearray1<double, 6> &) const –> bool

dimsizes(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner) → pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_6_t¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::dimsizes() const –> const class utility::fixedsizearray1<unsigned long, 6> &

euler_offsets(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner) → pyrosetta.rosetta.utility.fixedsizearray1_double_3_t¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::euler_offsets() const –> const class utility::fixedsizearray1<double, 3> &

halfbin6(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, values: pyrosetta.rosetta.utility.fixedsizearray1_double_6_t) → pyrosetta.rosetta.utility.fixedsizearray1_unsigned_long_6_t¶

Determine halfbin index for a point in 6D: i.e., how far from the lower corner of the point’s containing 6D voxel is the point – is it more than halfway to the next 6D voxel? Each dimension returned will hold a 0 or a 1.

C++: numeric::geometry::hashing::SixDCoordinateBinner::halfbin6(const class utility::fixedsizearray1<double, 6> &) const –> class utility::fixedsizearray1<unsigned long, 6>

halfbin_widths(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner) → pyrosetta.rosetta.utility.fixedsizearray1_double_6_t¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::halfbin_widths() const –> const class utility::fixedsizearray1<double, 6> &

radial_bin_index(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, radius: int, center: pyrosetta.rosetta.utility.fixedsizearray1_double_6_t) → pyrosetta.rosetta.std.vector_unsigned_long¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::radial_bin_index(unsigned long, const class utility::fixedsizearray1<double, 6> &) const –> class std::vector<unsigned long, class std::allocator<unsigned long> >

tree_init(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDCoordinateBinner, max_radius: int) → None¶: C++: numeric::geometry::hashing::SixDCoordinateBinner::tree_init(unsigned long) –> void

class pyrosetta.rosetta.numeric.geometry.hashing.SixDOffsetTree¶

Bases: pybind11_builtins.pybind11_object

Returns a list of offsets corresponding to the bins in a hypershell with radius x

assign(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDOffsetTree, : pyrosetta.rosetta.numeric.geometry.hashing.SixDOffsetTree) → pyrosetta.rosetta.numeric.geometry.hashing.SixDOffsetTree¶: C++: numeric::geometry::hashing::SixDOffsetTree::operator=(const class numeric::geometry::hashing::SixDOffsetTree &) –> class numeric::geometry::hashing::SixDOffsetTree &

init(self: pyrosetta.rosetta.numeric.geometry.hashing.SixDOffsetTree, max_radius: int) → None¶: C++: numeric::geometry::hashing::SixDOffsetTree::init(unsigned long) –> void

class pyrosetta.rosetta.numeric.geometry.hashing.bin_index_hasher¶

Bases: pybind11_builtins.pybind11_object

Small hashing struct with no private data; simply an algorithm to turn a 64-bit representation of a 6d voxel into an integer.

assign(self: pyrosetta.rosetta.numeric.geometry.hashing.bin_index_hasher, : pyrosetta.rosetta.numeric.geometry.hashing.bin_index_hasher) → pyrosetta.rosetta.numeric.geometry.hashing.bin_index_hasher¶: C++: numeric::geometry::hashing::bin_index_hasher::operator=(const struct numeric::geometry::hashing::bin_index_hasher &) –> struct numeric::geometry::hashing::bin_index_hasher &