Package rosetta :: Package core :: Package chemical :: Module _core_chemical_ :: Class RingConformerSet
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Class RingConformerSet

 object --+    
          |    
??.instance --+
              |
             RingConformerSet

core/chemical/RingConformerSet.hh:46

Instance Methods [hide private]
 
__init__(...)
__init__( (object)arg1, (int)ring_size, (str)lowest_conformer, (vector1_string)low_conformers) -> None : Standard constructor
 
__reduce__(...)
helper for pickle
 
__str__(...)
__str__( (RingConformerSet)arg1) -> object :
 
assign(...)
assign( (RingConformerSet)arg1, (RingConformerSet)object_to_copy) -> RingConformerSet : core/chemical/RingConformerSet.hh:59
 
get_all_nondegenerate_conformers(...)
get_all_nondegenerate_conformers( (RingConformerSet)arg1) -> object : Return a list of all nondegenerate conformers in the set.
 
get_ideal_conformer_by_CP_parameters(...)
get_ideal_conformer_by_CP_parameters( (RingConformerSet)arg1, (vector1_Real)parameters) -> RingConformer : Return the conformer that is the best fit for the provided Cremer-Pople parameters.
 
get_ideal_conformer_by_name(...)
get_ideal_conformer_by_name( (RingConformerSet)arg1, (str)name) -> RingConformer : Return the conformer corresponding to the requested name.
 
get_ideal_conformer_from_nus(...)
get_ideal_conformer_from_nus( (RingConformerSet)arg1, (vector1_Real)angles) -> RingConformer : Return the conformer that is the best fit for the provided list of nu angles.
 
get_lowest_energy_conformer(...)
get_lowest_energy_conformer( (RingConformerSet)arg1) -> RingConformer : Return the conformer that is known from studies (if available) to be the lowest energy ring conformer.
 
get_random_conformer(...)
get_random_conformer( (RingConformerSet)arg1) -> RingConformer : Return a random conformer from the set.
 
get_random_local_min_conformer(...)
get_random_local_min_conformer( (RingConformerSet)arg1) -> RingConformer : Return a random conformer from the subset of conformers that are local minima.
 
low_energy_conformers_are_known(...)
low_energy_conformers_are_known( (RingConformerSet)arg1) -> bool : Are the low-energy conformers known for this set?
 
ring_size(...)
ring_size( (RingConformerSet)arg1) -> int : Return the ring size of the conformers in this set.
 
show(...)
show( (RingConformerSet)arg1, (OStream)output) -> None : Generate string representation of RingConformerSet for debugging purposes.
 
size(...)
size( (RingConformerSet)arg1) -> int : Return the size of the conformer set.

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __subclasshook__

Class Variables [hide private]
  __instance_size__ = 32
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(...)
(Constructor)

 

__init__( (object)arg1, (int)ring_size, (str)lowest_conformer, (vector1_string)low_conformers) -> None :
    Standard constructor
    

    C++ signature :
        void __init__(_object*,unsigned long,std::string,utility::vector1<std::string, std::allocator<std::string> >)

__init__( (object)arg1, (RingConformerSet)object_to_copy) -> None :
    Copy constructor
    

    C++ signature :
        void __init__(_object*,core::chemical::RingConformerSet)

Overrides: object.__init__

__reduce__(...)

 

helper for pickle

Overrides: object.__reduce__
(inherited documentation)

__str__(...)
(Informal representation operator)

 

__str__( (RingConformerSet)arg1) -> object :

    C++ signature :
        _object* __str__(core::chemical::RingConformerSet {lvalue})

Overrides: object.__str__

assign(...)

 

assign( (RingConformerSet)arg1, (RingConformerSet)object_to_copy) -> RingConformerSet :
    core/chemical/RingConformerSet.hh:59

    C++ signature :
        core::chemical::RingConformerSet {lvalue} assign(core::chemical::RingConformerSet {lvalue},core::chemical::RingConformerSet)

get_all_nondegenerate_conformers(...)

 

get_all_nondegenerate_conformers( (RingConformerSet)arg1) -> object :
    Return a list of all nondegenerate conformers in the set.
    

    C++ signature :
        utility::vector1<core::chemical::RingConformer, std::allocator<core::chemical::RingConformer> > get_all_nondegenerate_conformers(core::chemical::RingConformerSet {lvalue})

get_ideal_conformer_by_CP_parameters(...)

 

get_ideal_conformer_by_CP_parameters( (RingConformerSet)arg1, (vector1_Real)parameters) -> RingConformer :
    Return the conformer that is the best fit for the provided Cremer-Pople parameters.
    

    C++ signature :
        core::chemical::RingConformer get_ideal_conformer_by_CP_parameters(core::chemical::RingConformerSet {lvalue},utility::vector1<double, std::allocator<double> >)

get_ideal_conformer_by_name(...)

 

get_ideal_conformer_by_name( (RingConformerSet)arg1, (str)name) -> RingConformer :
    Return the conformer corresponding to the requested name.
    

    C++ signature :
        core::chemical::RingConformer get_ideal_conformer_by_name(core::chemical::RingConformerSet {lvalue},std::string)

get_ideal_conformer_from_nus(...)

 

get_ideal_conformer_from_nus( (RingConformerSet)arg1, (vector1_Real)angles) -> RingConformer :
    Return the conformer that is the best fit for the provided list of nu angles.
    

    C++ signature :
        core::chemical::RingConformer get_ideal_conformer_from_nus(core::chemical::RingConformerSet {lvalue},utility::vector1<double, std::allocator<double> >)

get_lowest_energy_conformer(...)

 

get_lowest_energy_conformer( (RingConformerSet)arg1) -> RingConformer :
    Return the conformer that is known from studies (if available) to be the lowest energy ring conformer.
    

    C++ signature :
        core::chemical::RingConformer get_lowest_energy_conformer(core::chemical::RingConformerSet {lvalue})

get_random_conformer(...)

 

get_random_conformer( (RingConformerSet)arg1) -> RingConformer :
    Return a random conformer from the set.
    

    C++ signature :
        core::chemical::RingConformer get_random_conformer(core::chemical::RingConformerSet {lvalue})

get_random_local_min_conformer(...)

 

get_random_local_min_conformer( (RingConformerSet)arg1) -> RingConformer :
    Return a random conformer from the subset of conformers that are local minima.
    

    C++ signature :
        core::chemical::RingConformer get_random_local_min_conformer(core::chemical::RingConformerSet {lvalue})

low_energy_conformers_are_known(...)

 

low_energy_conformers_are_known( (RingConformerSet)arg1) -> bool :
    Are the low-energy conformers known for this set?
    

    C++ signature :
        bool low_energy_conformers_are_known(core::chemical::RingConformerSet {lvalue})

ring_size(...)

 

ring_size( (RingConformerSet)arg1) -> int :
    Return the ring size of the conformers in this set.
    

    C++ signature :
        unsigned long ring_size(core::chemical::RingConformerSet {lvalue})

show(...)

 

show( (RingConformerSet)arg1, (OStream)output) -> None :
    Generate string representation of RingConformerSet for debugging purposes.
    

    C++ signature :
        void show(core::chemical::RingConformerSet {lvalue},std::ostream {lvalue})

show( (RingConformerSet)arg1, (OStream)output) -> None :

    C++ signature :
        void show(RingConformerSet_exposer_callback {lvalue},std::ostream {lvalue})

size(...)

 

size( (RingConformerSet)arg1) -> int :
    Return the size of the conformer set.
    

    C++ signature :
        unsigned long size(core::chemical::RingConformerSet {lvalue})