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object --+ | ??.instance --+ | RingConformerSet
core/chemical/RingConformerSet.hh:46
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Inherited from Inherited from |
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__instance_size__ = 32
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Inherited from |
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__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)
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helper for pickle
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__str__( (RingConformerSet)arg1) -> object : C++ signature : _object* __str__(core::chemical::RingConformerSet {lvalue})
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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( (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( (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( (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( (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( (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( (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( (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( (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( (RingConformerSet)arg1) -> int : Return the ring size of the conformers in this set. C++ signature : unsigned long ring_size(core::chemical::RingConformerSet {lvalue}) |
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( (RingConformerSet)arg1) -> int : Return the size of the conformer set. C++ signature : unsigned long size(core::chemical::RingConformerSet {lvalue}) |
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