lkbtrie

Bindings for core::scoring::lkball::lkbtrie namespace

class pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom

Bases: pybind11_builtins.pybind11_object

atom(*args, **kwargs)

Overloaded function.

  1. atom(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom) -> pyrosetta.rosetta.core.conformation.Atom

C++: core::scoring::lkball::lkbtrie::LKBAtom::atom() const –> const class core::conformation::Atom &

  1. atom(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, base: pyrosetta.rosetta.core.conformation.Atom) -> None

C++: core::scoring::lkball::lkbtrie::LKBAtom::atom(const class core::conformation::Atom &) –> void

atom_weights(*args, **kwargs)

Overloaded function.

  1. atom_weights(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom) -> pyrosetta.rosetta.utility.fixedsizearray1_double_2_t

C++: core::scoring::lkball::lkbtrie::LKBAtom::atom_weights() const –> const class utility::fixedsizearray1<double, 2> &

  1. atom_weights(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, atom_weights: pyrosetta.rosetta.utility.fixedsizearray1_double_2_t) -> None

C++: core::scoring::lkball::lkbtrie::LKBAtom::atom_weights(const class utility::fixedsizearray1<double, 2> &) –> void

is_hydrogen(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom) bool

property required by RotamerTrie class

C++: core::scoring::lkball::lkbtrie::LKBAtom::is_hydrogen() const –> bool

n_attached_waters(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom) int

C++: core::scoring::lkball::lkbtrie::LKBAtom::n_attached_waters() const –> unsigned long

print(*args, **kwargs)

Overloaded function.

  1. print(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom) -> None

send a description of the atom to standard out

C++: core::scoring::lkball::lkbtrie::LKBAtom::print() const –> void

  1. print(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, os: pyrosetta.rosetta.std.ostream) -> None

send a description of the atom to an output stream

C++: core::scoring::lkball::lkbtrie::LKBAtom::print(std::ostream &) const –> void

waters(*args, **kwargs)

Overloaded function.

  1. waters(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

C++: core::scoring::lkball::lkbtrie::LKBAtom::waters() const –> const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > > &

  1. waters(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, n_attached: int, offset: int, waters: pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t) -> None

C++: core::scoring::lkball::lkbtrie::LKBAtom::waters(unsigned long, unsigned long, const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > > &) –> void

xyz(*args, **kwargs)

Overloaded function.

  1. xyz(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::scoring::lkball::lkbtrie::LKBAtom::xyz() const –> const class numeric::xyzVector<double> &

  1. xyz(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, base: pyrosetta.rosetta.numeric.xyzVector_double_t) -> None

C++: core::scoring::lkball::lkbtrie::LKBAtom::xyz(const class numeric::xyzVector<double> &) –> void

class pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBTrieEvaluator

Bases: pybind11_builtins.pybind11_object

heavyatom_heavyatom_energy(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBTrieEvaluator, at1: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, at2: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, d2: float, : int) float

C++: core::scoring::lkball::lkbtrie::LKBTrieEvaluator::heavyatom_heavyatom_energy(const class core::scoring::lkball::lkbtrie::LKBAtom &, const class core::scoring::lkball::lkbtrie::LKBAtom &, double &, unsigned long &) const –> double

heavyatom_hydrogenatom_energy(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBTrieEvaluator, : pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, : pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, : int, : pyrosetta.rosetta.core.scoring.trie.TrieVsTrieCachedDataContainerBase) float

C++: core::scoring::lkball::lkbtrie::LKBTrieEvaluator::heavyatom_hydrogenatom_energy(const class core::scoring::lkball::lkbtrie::LKBAtom &, const class core::scoring::lkball::lkbtrie::LKBAtom &, unsigned long &, const class core::scoring::trie::TrieVsTrieCachedDataContainerBase *const) const –> double

hydrogen_interaction_cutoff2(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBTrieEvaluator) float

C++: core::scoring::lkball::lkbtrie::LKBTrieEvaluator::hydrogen_interaction_cutoff2() const –> double

hydrogenatom_heavyatom_energy(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBTrieEvaluator, : pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, : pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, : int, : pyrosetta.rosetta.core.scoring.trie.TrieVsTrieCachedDataContainerBase) float

C++: core::scoring::lkball::lkbtrie::LKBTrieEvaluator::hydrogenatom_heavyatom_energy(const class core::scoring::lkball::lkbtrie::LKBAtom &, const class core::scoring::lkball::lkbtrie::LKBAtom &, unsigned long &, const class core::scoring::trie::TrieVsTrieCachedDataContainerBase *const) const –> double

hydrogenatom_hydrogenatom_energy(self: pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBTrieEvaluator, : pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, : pyrosetta.rosetta.core.scoring.lkball.lkbtrie.LKBAtom, : int, : pyrosetta.rosetta.core.scoring.trie.TrieVsTrieCachedDataContainerBase) float

C++: core::scoring::lkball::lkbtrie::LKBTrieEvaluator::hydrogenatom_hydrogenatom_energy(const class core::scoring::lkball::lkbtrie::LKBAtom &, const class core::scoring::lkball::lkbtrie::LKBAtom &, unsigned long &, const class core::scoring::trie::TrieVsTrieCachedDataContainerBase *const) const –> double