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Rosetta
2021.16
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This class functions to hold, access, sample on, and set independent and dependent dihedral data. It is an abstract base class for particular types of data. More...
#include <BBDihedralSampler.hh>

Public Member Functions | |
| BBDihedralSamplerBase () | |
| BBDihedralSamplerBase (core::id::MainchainTorsionType torsion_type, BBSampleType sampling_type=probability) | |
| BBDihedralSamplerBase (BBDihedralSamplerBase const &src) | |
| ~BBDihedralSamplerBase () override | |
| BBDihedralSamplerBaseOP | clone () const |
| void | set_torsion_type (core::id::MainchainTorsionType torsion_type) |
| Set the torsion type we will be querying. More... | |
| core::Size | get_torsion_type () const |
| void | set_sample_type (BBSampleType sampling_type) |
| Set the sampling type. Default is to sample probabilistically on the data. More... | |
| virtual std::string | get_name () const |
Protected Attributes | |
| core::id::MainchainTorsionType | torsion_type_ |
| BBSampleType | sampling_type_ |
This class functions to hold, access, sample on, and set independent and dependent dihedral data. It is an abstract base class for particular types of data.
get_torsion functions should give either the minima on a set of data or sample via the probability If you are subclassing, you do not necessarily need to use the BBSampleType.
Feel free to implement more types. See the SugarBBSampler and RangedBBSampler as examples.
Technically - with now storing the torsion_types as core::Size (due to waay too many in sugars) - we can now remove the 'BB' part of this whole thing.
| protocols::simple_moves::bb_sampler::BBDihedralSamplerBase::BBDihedralSamplerBase | ( | ) |
| protocols::simple_moves::bb_sampler::BBDihedralSamplerBase::BBDihedralSamplerBase | ( | core::id::MainchainTorsionType | torsion_type, |
| BBSampleType | sampling_type = probability |
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| ) |
| protocols::simple_moves::bb_sampler::BBDihedralSamplerBase::BBDihedralSamplerBase | ( | BBDihedralSamplerBase const & | src | ) |
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overridedefault |
| BBDihedralSamplerBaseOP protocols::simple_moves::bb_sampler::BBDihedralSamplerBase::clone | ( | ) | const |
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inlinevirtual |
Reimplemented in protocols::simple_moves::bb_sampler::BBDihedralSamplerND, protocols::simple_moves::bb_sampler::BBDihedralSampler3D, protocols::simple_moves::bb_sampler::BBDihedralSampler2D, protocols::simple_moves::bb_sampler::BBDihedralSampler, protocols::simple_moves::bb_sampler::SmallBBSampler, and protocols::simple_moves::bb_sampler::SugarBBSampler.
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inline |
References torsion_type_.
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inline |
Set the sampling type. Default is to sample probabilistically on the data.
References sampling_type_.
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inline |
Set the torsion type we will be querying.
References torsion_type_.
Referenced by protocols::carbohydrates::GlycanSampler::randomize_glycan_torsions().
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protected |
Referenced by protocols::simple_moves::bb_sampler::SugarBBSampler::get_torsion(), and set_sample_type().
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protected |
Referenced by protocols::simple_moves::bb_sampler::SmallBBSampler::get_torsion(), protocols::simple_moves::bb_sampler::SugarBBSampler::get_torsion(), get_torsion_type(), protocols::simple_moves::bb_sampler::SmallBBSampler::set_torsion_to_pose(), protocols::simple_moves::bb_sampler::SugarBBSampler::set_torsion_to_pose(), set_torsion_type(), and protocols::simple_moves::bb_sampler::SmallBBSampler::SmallBBSampler().
1.8.7