hbtrie

Bindings for core::scoring::hbonds::hbtrie namespace

class pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom

Bases: pybind11_builtins.pybind11_object

base2_xyz(*args, **kwargs)

Overloaded function.

  1. base2_xyz(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::scoring::hbonds::hbtrie::HBAtom::base2_xyz() const –> const class numeric::xyzVector<double> &

  1. base2_xyz(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, xyz: pyrosetta.rosetta.numeric.xyzVector_double_t) -> None

C++: core::scoring::hbonds::hbtrie::HBAtom::base2_xyz(const class numeric::xyzVector<double> &) –> void

base_xyz(*args, **kwargs)

Overloaded function.

  1. base_xyz(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::scoring::hbonds::hbtrie::HBAtom::base_xyz() const –> const class numeric::xyzVector<double> &

  1. base_xyz(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, xyz: pyrosetta.rosetta.numeric.xyzVector_double_t) -> None

C++: core::scoring::hbonds::hbtrie::HBAtom::base_xyz(const class numeric::xyzVector<double> &) –> void

hb_acc_chem_type(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) pyrosetta.rosetta.core.scoring.hbonds.HBAccChemType

C++: core::scoring::hbonds::hbtrie::HBAtom::hb_acc_chem_type() const –> enum core::scoring::hbonds::HBAccChemType

hb_chem_type(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, chemtype: int) None

C++: core::scoring::hbonds::hbtrie::HBAtom::hb_chem_type(int) –> void

hb_don_chem_type(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) pyrosetta.rosetta.core.scoring.hbonds.HBDonChemType

C++: core::scoring::hbonds::hbtrie::HBAtom::hb_don_chem_type() const –> enum core::scoring::hbonds::HBDonChemType

is_backbone(*args, **kwargs)

Overloaded function.

  1. is_backbone(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> bool

C++: core::scoring::hbonds::hbtrie::HBAtom::is_backbone() const –> bool

  1. is_backbone(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, setting: bool) -> None

C++: core::scoring::hbonds::hbtrie::HBAtom::is_backbone(bool) –> void

is_dna(*args, **kwargs)

Overloaded function.

  1. is_dna(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> bool

C++: core::scoring::hbonds::hbtrie::HBAtom::is_dna() const –> bool

  1. is_dna(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, setting: bool) -> None

C++: core::scoring::hbonds::hbtrie::HBAtom::is_dna(bool) –> void

is_hydrogen(*args, **kwargs)

Overloaded function.

  1. is_hydrogen(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> bool

property required by RotamerTrie class

C++: core::scoring::hbonds::hbtrie::HBAtom::is_hydrogen() const –> bool

  1. is_hydrogen(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, setting: bool) -> None

setter method for data required by RotamerTrie class

C++: core::scoring::hbonds::hbtrie::HBAtom::is_hydrogen(bool) –> void

is_protein(*args, **kwargs)

Overloaded function.

  1. is_protein(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> bool

C++: core::scoring::hbonds::hbtrie::HBAtom::is_protein() const –> bool

  1. is_protein(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, setting: bool) -> None

C++: core::scoring::hbonds::hbtrie::HBAtom::is_protein(bool) –> void

is_wat(*args, **kwargs)

Overloaded function.

  1. is_wat(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> bool

C++: core::scoring::hbonds::hbtrie::HBAtom::is_wat() const –> bool

  1. is_wat(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, setting: bool) -> None

C++: core::scoring::hbonds::hbtrie::HBAtom::is_wat(bool) –> void

near_wat(*args, **kwargs)

Overloaded function.

  1. near_wat(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> bool

C++: core::scoring::hbonds::hbtrie::HBAtom::near_wat() const –> bool

  1. near_wat(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, setting: bool) -> None

C++: core::scoring::hbonds::hbtrie::HBAtom::near_wat(bool) –> void

non_hbonding_atom(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) bool

C++: core::scoring::hbonds::hbtrie::HBAtom::non_hbonding_atom() const –> bool

print(*args, **kwargs)

Overloaded function.

  1. print(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> None

send a description of the atom to standard out

C++: core::scoring::hbonds::hbtrie::HBAtom::print() const –> void

  1. print(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, os: pyrosetta.rosetta.std.ostream) -> None

send a description of the atom to an output stream

C++: core::scoring::hbonds::hbtrie::HBAtom::print(std::ostream &) const –> void

xyz(*args, **kwargs)

Overloaded function.

  1. xyz(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::scoring::hbonds::hbtrie::HBAtom::xyz() const –> const class numeric::xyzVector<double> &

  1. xyz(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBAtom, coord: pyrosetta.rosetta.numeric.xyzVector_double_t) -> None

C++: core::scoring::hbonds::hbtrie::HBAtom::xyz(const class numeric::xyzVector<double> &) –> void

class pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBCPData

Bases: pybind11_builtins.pybind11_object

avoid_sc_hbonds(*args, **kwargs)

Overloaded function.

  1. avoid_sc_hbonds(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBCPData) -> bool

C++: core::scoring::hbonds::hbtrie::HBCPData::avoid_sc_hbonds() const –> bool

  1. avoid_sc_hbonds(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBCPData, setting: bool) -> None

C++: core::scoring::hbonds::hbtrie::HBCPData::avoid_sc_hbonds(bool) –> void

is_sc(*args, **kwargs)

Overloaded function.

  1. is_sc(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBCPData) -> bool

C++: core::scoring::hbonds::hbtrie::HBCPData::is_sc() const –> bool

  1. is_sc(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBCPData, setting: bool) -> None

C++: core::scoring::hbonds::hbtrie::HBCPData::is_sc(bool) –> void

print(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBCPData, os: pyrosetta.rosetta.std.ostream) None

C++: core::scoring::hbonds::hbtrie::HBCPData::print(std::ostream &) const –> void

class pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBCountPairFunction

Bases: pyrosetta.rosetta.core.scoring.trie.TrieCountPairBase

assign(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBCountPairFunction, : pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBCountPairFunction) pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBCountPairFunction

C++: core::scoring::hbonds::hbtrie::HBCountPairFunction::operator=(const class core::scoring::hbonds::hbtrie::HBCountPairFunction &) –> class core::scoring::hbonds::hbtrie::HBCountPairFunction &

static print() None

C++: core::scoring::hbonds::hbtrie::HBCountPairFunction::print() –> void

class pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer

Bases: pyrosetta.rosetta.core.scoring.trie.TrieVsTrieCachedDataContainerBase

A class for passing data to the trie-vs-trie calculation for hydrogen bonds, without having to cache it in mutable data in the HBondEnergy method or whatnot.

The EnergyMap passed to this object is stored by raw pointer. THIS OBJECT DOES NOT OWN THE ENERGY MAP. Calling code must guarantee that the EnergyMap continues to exist until this object is destroyed. (This is unfortunately needed for speed.)

Vikram K. Mulligan (vmulligan.org)

assign(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer, : pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer) pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::operator=(const class core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer &) –> class core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer &

clone(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer) pyrosetta.rosetta.core.scoring.trie.TrieVsTrieCachedDataContainerBase

Clone operation: make a copy of this object, and return an owning pointer to the copy.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::clone() const –> class std::shared_ptr<class core::scoring::trie::TrieVsTrieCachedDataContainerBase>

res1(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer) int

Get residue 1.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res1() const –> unsigned long

res1_nb(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer) int

Get residue 1_nb.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res1_nb() const –> unsigned long

res2(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer) int

Get residue 2.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res2() const –> unsigned long

res2_nb(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer) int

Get residue 2_nb.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res2_nb() const –> unsigned long

rotamer_seq_sep(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer) int

Get the rotamer sequence separation.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::rotamer_seq_sep() const –> long

set_res1(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer, setting: int) None

Set residue 1.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::set_res1(const unsigned long) –> void

set_res1_nb(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer, setting: int) None

Set residue 1_nb.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::set_res1_nb(const unsigned long) –> void

set_res2(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer, setting: int) None

Set residue 2.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::set_res2(const unsigned long) –> void

set_res2_nb(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer, setting: int) None

Set residue 2_nb.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::set_res2_nb(const unsigned long) –> void

set_rotamer_seq_sep(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer, setting: int) None

Set the rotamer sequence separation.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::set_rotamer_seq_sep(const long) –> void

weights(self: pyrosetta.rosetta.core.scoring.hbonds.hbtrie.HBondsTrieVsTrieCachedDataContainer) pyrosetta.rosetta.core.scoring.EMapVector

Get the weights vector.

C++: core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::weights() const –> const class core::scoring::EMapVector &