membrane

Bindings for core::membrane namespace

pyrosetta.rosetta.core.membrane.add_shell(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, point_lists: pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t, shell_radius: float) → pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t

adds a shell to boundary points which are taken from the inside point list

C++: core::membrane::add_shell(const class std::map<unsigned long, class numeric::xyzVector<double>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class numeric::xyzVector<double> > > > &, const class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > > &, double) –> class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > >

pyrosetta.rosetta.core.membrane.clockwise(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, q: pyrosetta.rosetta.numeric.xyzVector_double_t) → bool

is q clockwise from p1p2?

C++: core::membrane::clockwise(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> bool

pyrosetta.rosetta.core.membrane.concave_hull(*args, **kwargs)

Overloaded function.

1. concave_hull(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, point_lists: pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t) -> pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t

2. concave_hull(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, point_lists: pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t, dist_cutoff: float) -> pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t

computes 2D concave hull from three lists of points for inside, outside and boundary

C++: core::membrane::concave_hull(const class std::map<unsigned long, class numeric::xyzVector<double>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class numeric::xyzVector<double> > > > &, const class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > > &, double) –> class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > >

pyrosetta.rosetta.core.membrane.concave_shell(pose: pyrosetta.rosetta.core.pose.Pose, min_z: float, max_z: float, incr_z: float, shell_radius: float, dist_cutoff: float) → pyrosetta.rosetta.core.id.AtomID_Map_bool_t

compute the concave shell from the pose, computes along a slice and

takes the atoms within a shell, not just the outermost ones

C++: core::membrane::concave_shell(class core::pose::Pose &, double, double, double, double, double) –> class core::id::AtomID_Map<bool>

pyrosetta.rosetta.core.membrane.convex_hull(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, min_z: float, max_z: float) → pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t

computes 2D convex hull: points in a slice on z-dimension are

flattened into xy plane; the output is three lists of points for inside, outside and boundary

C++: core::membrane::convex_hull(const class std::map<unsigned long, class numeric::xyzVector<double>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class numeric::xyzVector<double> > > > &, double, double) –> class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > >

pyrosetta.rosetta.core.membrane.distance_from_line2D(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, q: pyrosetta.rosetta.numeric.xyzVector_double_t) → float

distance of point q from line between points p1 and p2

C++: core::membrane::distance_from_line2D(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.core.membrane.enclosing_angles(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, q: pyrosetta.rosetta.numeric.xyzVector_double_t) → float

find the sum of angles p1q and p2q; p1, p2, q are points, not vectors

C++: core::membrane::enclosing_angles(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.core.membrane.find_closest(*args, **kwargs)

Overloaded function.

1. find_closest(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, p1: int, p2: int, inside_points: pyrosetta.rosetta.utility.vector1_unsigned_long) -> int

2. find_closest(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, p1: int, p2: int, inside_points: pyrosetta.rosetta.utility.vector1_unsigned_long, clock: bool) -> int

find point id that is closest to line connecting p1p2

which points: i,o,b for inside, outside or boundary

C++: core::membrane::find_closest(const class std::map<unsigned long, class numeric::xyzVector<double>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class numeric::xyzVector<double> > > > &, unsigned long, unsigned long, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, bool) –> unsigned long

pyrosetta.rosetta.core.membrane.find_farthest(*args, **kwargs)

Overloaded function.

1. find_farthest(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, p1: int, p2: int, outside_points: pyrosetta.rosetta.utility.vector1_unsigned_long) -> int

2. find_farthest(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, p1: int, p2: int, outside_points: pyrosetta.rosetta.utility.vector1_unsigned_long, clock: bool) -> int

find point id that is farthest from line connecting p1p2

which points: i,o,b for inside, outside or boundary

C++: core::membrane::find_farthest(const class std::map<unsigned long, class numeric::xyzVector<double>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class numeric::xyzVector<double> > > > &, unsigned long, unsigned long, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, bool) –> unsigned long

pyrosetta.rosetta.core.membrane.get_angles(*args, **kwargs)

Overloaded function.

1. get_angles(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, p1: int, p2: int, points: pyrosetta.rosetta.utility.vector1_unsigned_long) -> pyrosetta.rosetta.utility.vector1_double

2. get_angles(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, p1: int, p2: int, points: pyrosetta.rosetta.utility.vector1_unsigned_long, clock: bool) -> pyrosetta.rosetta.utility.vector1_double

compute enclosing angles in point list from line p1p2

which points: i,o,b for inside, outside or boundary

C++: core::membrane::get_angles(const class std::map<unsigned long, class numeric::xyzVector<double>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class numeric::xyzVector<double> > > > &, unsigned long, unsigned long, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, bool) –> class utility::vector1<double, class std::allocator<double> >

pyrosetta.rosetta.core.membrane.get_distances(*args, **kwargs)

Overloaded function.

1. get_distances(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, p1: int, p2: int, points: pyrosetta.rosetta.utility.vector1_unsigned_long) -> pyrosetta.rosetta.utility.vector1_double

2. get_distances(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, p1: int, p2: int, points: pyrosetta.rosetta.utility.vector1_unsigned_long, clock: bool) -> pyrosetta.rosetta.utility.vector1_double

compute distances in point list from line p1p2

which points: i,o,b for inside, outside or boundary

C++: core::membrane::get_distances(const class std::map<unsigned long, class numeric::xyzVector<double>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class numeric::xyzVector<double> > > > &, unsigned long, unsigned long, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, bool) –> class utility::vector1<double, class std::allocator<double> >

pyrosetta.rosetta.core.membrane.inside_boundaries(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, q: pyrosetta.rosetta.numeric.xyzVector_double_t) → bool

q is inside xy boundaries of p1p2

C++: core::membrane::inside_boundaries(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> bool

pyrosetta.rosetta.core.membrane.inside_polygon(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, polygon: pyrosetta.rosetta.utility.vector1_unsigned_long, q: pyrosetta.rosetta.numeric.xyzVector_double_t) → str

checks whether the point q is inside the polygon or not

i.e. compute the number of crossing points with polygon 0 outside 1 inside 2 on boundary

C++: core::membrane::inside_polygon(const class std::map<unsigned long, class numeric::xyzVector<double>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class numeric::xyzVector<double> > > > &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const class numeric::xyzVector<double> &) –> std::string

pyrosetta.rosetta.core.membrane.intersect(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, q: pyrosetta.rosetta.numeric.xyzVector_double_t) → bool

check whether line p1p2 intersects with (q to infinity); q is the test point

C++: core::membrane::intersect(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> bool

pyrosetta.rosetta.core.membrane.on_segment(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, q: pyrosetta.rosetta.numeric.xyzVector_double_t) → bool

is point q on line segment between points p1 and p2?

C++: core::membrane::on_segment(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> bool

pyrosetta.rosetta.core.membrane.points_in_triangle(coords: pyrosetta.rosetta.std.map_unsigned_long_numeric_xyzVector_double_t_std_allocator_std_pair_const_unsigned_long_numeric_xyzVector_double_t, p1: int, p2: int, q: int, points: pyrosetta.rosetta.utility.vector1_unsigned_long) → pyrosetta.rosetta.utility.vector1_unsigned_long

returns the points that are within the triangle between points p1, p2, q

C++: core::membrane::points_in_triangle(const class std::map<unsigned long, class numeric::xyzVector<double>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class numeric::xyzVector<double> > > > &, unsigned long, unsigned long, unsigned long, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

pyrosetta.rosetta.core.membrane.to_left(p1: pyrosetta.rosetta.numeric.xyzVector_double_t, p2: pyrosetta.rosetta.numeric.xyzVector_double_t, q: pyrosetta.rosetta.numeric.xyzVector_double_t) → bool

check whether q is to the left of p1p2

C++: core::membrane::to_left(const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> bool