inverse

Bindings for core::kinematics::inverse namespace

class pyrosetta.rosetta.core.kinematics.inverse.AlignmentAtom

Bases: pybind11_builtins.pybind11_object

this class has the duty of logging atoms and their desired positions

We are using struct instead of class because AlignmentAtom has no invariants

property destination_xyz
property id
set(*args, **kwargs)

Overloaded function.

  1. set(self: pyrosetta.rosetta.core.kinematics.inverse.AlignmentAtom, atomid: pyrosetta.rosetta.core.id.AtomID, dest_xyz: pyrosetta.rosetta.numeric.xyzVector_double_t) -> None

C++: core::kinematics::inverse::AlignmentAtom::set(class core::id::AtomID, const class numeric::xyzVector<double>) –> void

  1. set(self: pyrosetta.rosetta.core.kinematics.inverse.AlignmentAtom, atomid: pyrosetta.rosetta.core.id.AtomID, conf: pyrosetta.rosetta.core.conformation.Conformation) -> None

C++: core::kinematics::inverse::AlignmentAtom::set(class core::id::AtomID, const class core::conformation::Conformation &) –> void

class pyrosetta.rosetta.core.kinematics.inverse.AlignmentAtomArray

Bases: pybind11_builtins.pybind11_object

This class contains the 3 AlignmentAtoms that we want to use to define the new jump value.

In theory, the order of the atoms does not matter. We are using struct instead of class because AlignmentAtomArray has no invariants. We are also defining functions in the header because the function body does a better job of explaining the purpose than my comments do.

property atoms
create_destination_stub(self: pyrosetta.rosetta.core.kinematics.inverse.AlignmentAtomArray) pyrosetta.rosetta.core.kinematics.Stub

Define the intended stub that represents the future pose _after_ updating the jump

C++: core::kinematics::inverse::AlignmentAtomArray::create_destination_stub() const –> class core::kinematics::Stub

create_stub_from_atom_ids(self: pyrosetta.rosetta.core.kinematics.inverse.AlignmentAtomArray, conf: pyrosetta.rosetta.core.conformation.Conformation) pyrosetta.rosetta.core.kinematics.Stub

This utility function uses the current XYZ coordinates for the AtomIDs in the pose.

C++: core::kinematics::inverse::AlignmentAtomArray::create_stub_from_atom_ids(const class core::conformation::Conformation &) const –> class core::kinematics::Stub

pyrosetta.rosetta.core.kinematics.inverse.calculate_new_jump(conformation: pyrosetta.rosetta.core.conformation.Conformation, jump_id: int, atoms: core::kinematics::inverse::AlignmentAtomArray) pyrosetta.rosetta.core.kinematics.Jump

Update a desired jump in the conformation to place the atoms in the AlignmentAtomArray to the desired position

protocol is described as comments in the body of the code.

Jack Maguire

C++: core::kinematics::inverse::calculate_new_jump(const class core::conformation::Conformation &, const unsigned long, const struct core::kinematics::inverse::AlignmentAtomArray &) –> class core::kinematics::Jump

pyrosetta.rosetta.core.kinematics.inverse.dummy_AlignmentAtomArrayInternalType(val: pyrosetta.rosetta.std.array_core_kinematics_inverse_AlignmentAtom_3_t) pyrosetta.rosetta.std.array_core_kinematics_inverse_AlignmentAtom_3_t

C++: core::kinematics::inverse::dummy_AlignmentAtomArrayInternalType(struct std::array<struct core::kinematics::inverse::AlignmentAtom, 3>) –> struct std::array<struct core::kinematics::inverse::AlignmentAtom, 3>