Bindings for core::chemical::rings namespace

Classes
		builtins.object AxEqDesignation CPParameter RingConformer RingConformerSet rosetta.utility.SingletonBase_core_chemical_rings_RingConformerManager_t(builtins.object) RingConformerManager   class AxEqDesignation(builtins.object)     :  The axial/equatorial designation for bonds/substituents on ring systems.     Axial: "...[B]onds to ring atoms (and molecular entities attached to such bonds) are... axial... [if] the bonds make a relatively large... angle... with the plane containing or passing closest to a majority of the ring atoms.  ...[A]xial bonds are approximately parallel to the C3 axis.... Equatorial: "...[B]onds to ring atoms (and molecular entities attached to such bonds) are... equatorial... [if] the bonds make a relatively small... angle... with the plane containing or passing closest to a majority of the ring atoms.  ...[E]quatorial bonds [are] approximately parallel to two of the ring bonds.            NEITHER has the value of 0 and so can be used in conditionals as false.     Methods defined here: __eq__(...) from builtins.PyCapsule __eq__(rosetta.core.chemical.rings.AxEqDesignation, rosetta.core.chemical.rings.AxEqDesignation) -> bool __hash__(...) from builtins.PyCapsule __hash__(rosetta.core.chemical.rings.AxEqDesignation) -> int __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(rosetta.core.chemical.rings.AxEqDesignation, int) -> NoneType   2. __init__(rosetta.core.chemical.rings.AxEqDesignation, int) -> NoneType __int__(...) from builtins.PyCapsule __int__(rosetta.core.chemical.rings.AxEqDesignation) -> int __ne__(...) from builtins.PyCapsule __ne__(rosetta.core.chemical.rings.AxEqDesignation, rosetta.core.chemical.rings.AxEqDesignation) -> bool __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. __repr__(...) from builtins.PyCapsule __repr__(rosetta.core.chemical.rings.AxEqDesignation) -> str Data and other attributes defined here: AXIAL = AxEqDesignation.AXIAL EQUATORIAL = AxEqDesignation.EQUATORIAL NEITHER = AxEqDesignation.NEITHER   class CPParameter(builtins.object)     Enumerators for the three Cremer-Pople "ring-puckering" parameters used to describe 4-, 5-, and 6-membered ring conformers     Methods defined here: __eq__(...) from builtins.PyCapsule __eq__(rosetta.core.chemical.rings.CPParameter, rosetta.core.chemical.rings.CPParameter) -> bool __hash__(...) from builtins.PyCapsule __hash__(rosetta.core.chemical.rings.CPParameter) -> int __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(rosetta.core.chemical.rings.CPParameter, int) -> NoneType   2. __init__(rosetta.core.chemical.rings.CPParameter, int) -> NoneType __int__(...) from builtins.PyCapsule __int__(rosetta.core.chemical.rings.CPParameter) -> int __ne__(...) from builtins.PyCapsule __ne__(rosetta.core.chemical.rings.CPParameter, rosetta.core.chemical.rings.CPParameter) -> bool __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. __repr__(...) from builtins.PyCapsule __repr__(rosetta.core.chemical.rings.CPParameter) -> str Data and other attributes defined here: PHI = CPParameter.PHI THETA = CPParameter.THETA q = CPParameter.q   class RingConformer(builtins.object)     A structure for storing information for specific, idealized ring conformers.     Methods defined here: __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(rosetta.core.chemical.rings.RingConformer) -> NoneType   2. __init__(self : rosetta.core.chemical.rings.RingConformer,  : rosetta.core.chemical.rings.RingConformer) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. __str__(...) from builtins.PyCapsule __str__(rosetta.core.chemical.rings.RingConformer) -> str assign(...) from builtins.PyCapsule assign(self : rosetta.core.chemical.rings.RingConformer,  : rosetta.core.chemical.rings.RingConformer) -> rosetta.core.chemical.rings.RingConformer Data descriptors defined here: CP_parameters degeneracy general_name nu_angles specific_name tau_angles   class RingConformerManager(rosetta.utility.SingletonBase_core_chemical_rings_RingConformerManager_t)     This class is a singleton and manages RingConformer data that should only be read from the database one time and shared among all RingConformerSets.     Method resolution order: RingConformerManager rosetta.utility.SingletonBase_core_chemical_rings_RingConformerManager_t builtins.object Methods defined here: __init__(self, /, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. conformers_for_ring_size(...) from builtins.PyCapsule conformers_for_ring_size(ring_size : int) -> rosetta.utility.vector1_core_chemical_rings_RingConformer   Return a set of ring conformers for the requested ring size. Methods inherited from rosetta.utility.SingletonBase_core_chemical_rings_RingConformerManager_t: get_instance(...) from builtins.PyCapsule get_instance() -> core::chemical::rings::RingConformerManager   class RingConformerSet(builtins.object)       Methods defined here: __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(self : handle, ring_size : int, lowest_conformer : str, low_conformers : rosetta.utility.vector1_std_string) -> NoneType   2. __init__(handle, rosetta.core.chemical.rings.RingConformerSet) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. __str__(...) from builtins.PyCapsule __str__(rosetta.core.chemical.rings.RingConformerSet) -> str assign(...) from builtins.PyCapsule assign(self : rosetta.core.chemical.rings.RingConformerSet, object_to_copy : rosetta.core.chemical.rings.RingConformerSet) -> rosetta.core.chemical.rings.RingConformerSet get_all_nondegenerate_conformers(...) from builtins.PyCapsule get_all_nondegenerate_conformers(rosetta.core.chemical.rings.RingConformerSet) -> rosetta.utility.vector1_core_chemical_rings_RingConformer   Return a list of all nondegenerate conformers in the set. get_ideal_conformer_by_CP_parameters(...) from builtins.PyCapsule get_ideal_conformer_by_CP_parameters(self : rosetta.core.chemical.rings.RingConformerSet, parameters : rosetta.utility.vector1_double) -> rosetta.core.chemical.rings.RingConformer   Return the conformer that is the best fit for the provided Cremer-Pople parameters. get_ideal_conformer_by_name(...) from builtins.PyCapsule get_ideal_conformer_by_name(self : rosetta.core.chemical.rings.RingConformerSet, name : str) -> rosetta.core.chemical.rings.RingConformer   Return the conformer corresponding to the requested name. get_ideal_conformer_from_nus(...) from builtins.PyCapsule get_ideal_conformer_from_nus(self : rosetta.core.chemical.rings.RingConformerSet, angles : rosetta.utility.vector1_double) -> rosetta.core.chemical.rings.RingConformer   Return the conformer that is the best fit for the provided list of nu angles. get_local_min_conformers(...) from builtins.PyCapsule get_local_min_conformers(rosetta.core.chemical.rings.RingConformerSet) -> rosetta.utility.vector1_core_chemical_rings_RingConformer get_lowest_energy_conformer(...) from builtins.PyCapsule get_lowest_energy_conformer(rosetta.core.chemical.rings.RingConformerSet) -> rosetta.core.chemical.rings.RingConformer   Return the conformer that is known from studies (if available) to be the lowest energy ring conformer. get_random_conformer(...) from builtins.PyCapsule get_random_conformer(rosetta.core.chemical.rings.RingConformerSet) -> rosetta.core.chemical.rings.RingConformer   Return a random conformer from the set. get_random_local_min_conformer(...) from builtins.PyCapsule get_random_local_min_conformer(rosetta.core.chemical.rings.RingConformerSet) -> rosetta.core.chemical.rings.RingConformer   Return a random conformer from the subset of conformers that are local minima. low_energy_conformers_are_known(...) from builtins.PyCapsule low_energy_conformers_are_known(rosetta.core.chemical.rings.RingConformerSet) -> bool   Are the low-energy conformers known for this set? ring_size(...) from builtins.PyCapsule ring_size(rosetta.core.chemical.rings.RingConformerSet) -> int   Return the ring size of the conformers in this set. size(...) from builtins.PyCapsule size(rosetta.core.chemical.rings.RingConformerSet) -> int   Return the size of the conformer set.

Functions
		is_atom_axial_or_equatorial_to_ring(...) method of builtins.PyCapsule instance is_atom_axial_or_equatorial_to_ring(query_atom : rosetta.numeric.xyzVector_double_t, attachment_atom : rosetta.numeric.xyzVector_double_t, ring_atoms : rosetta.utility.vector1_numeric_xyzVector_double_t) -> rosetta.core.chemical.rings.AxEqDesignation   Are the query atom coordinates axial or equatorial to the given ring or neither? read_conformers_from_database_file_for_ring_size(...) method of builtins.PyCapsule instance read_conformers_from_database_file_for_ring_size(filename : str, ring_size : int) -> rosetta.utility.vector1_core_chemical_rings_RingConformer   Return a list of ring conformers, read from a database file.

Data
		AXIAL = AxEqDesignation.AXIAL EQUATORIAL = AxEqDesignation.EQUATORIAL NEITHER = AxEqDesignation.NEITHER PHI = CPParameter.PHI THETA = CPParameter.THETA q = CPParameter.q