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protocols::indexed_structure_store Namespace Reference

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Classes

class  BinaryFragmentStoreBackend
 
struct  StructureEntry
 
struct  ResidueBackboneEntry
 
struct  ResidueSidechainEntry
 
struct  ResidueOrientEntry
 
struct  ResidueEntry
 
struct  DirectSegmentLookupConfig
 
struct  DirectSegmentLookupResult
 
struct  DirectSegmentLookup
 
class  DirStructureStoreBackend
 
class  FragmentLookupResult
 
class  FragmentLookup
 
struct  FragmentSpecification
 
class  FragmentStore
 
struct  _map_string_vector_Size
 
struct  _map_string_vector_Real
 
struct  _map_string_vector_vector_Real
 
class  FragmentStoreManager
 
class  FragmentStoreProvider
 
struct  StructureRecord
 
class  JSONStructureStoreBackend
 
class  PoseUtilityPlaceholder
 
struct  SegmentSequenceProfileConfig
 
struct  SegmentSequenceProfileResult
 
struct  SegmentSequenceProfile
 
class  SilentStructureStoreBackend
 
struct  BackboneStub
 
class  BackboneStubVectorRMSDComparator
 
class  SSHashedFragmentStore
 
class  StructureStore
 
class  StructureStoreManager
 
class  StructureStoreProvider
 

Typedefs

typedef utility::pointer::shared_ptr< FragmentLookupFragmentLookupOP
 
typedef utility::pointer::shared_ptr< FragmentLookup const > FragmentLookupCOP
 
typedef utility::pointer::weak_ptr< FragmentLookupFragmentLookupAP
 
typedef utility::pointer::weak_ptr< FragmentLookup const > FragmentLookupCAP
 
typedef utility::pointer::shared_ptr< FragmentStoreFragmentStoreOP
 
typedef utility::pointer::shared_ptr< FragmentStore const > FragmentStoreCOP
 
typedef utility::pointer::shared_ptr< FragmentStoreProviderFragmentStoreProviderOP
 
typedef utility::pointer::shared_ptr< FragmentStoreProvider const > FragmentStoreProviderCOP
 
typedef utility::pointer::shared_ptr< SSHashedFragmentStoreSSHashedFragmentStoreOP
 
typedef utility::pointer::shared_ptr< SSHashedFragmentStore const > SSHashedFragmentStoreCOP
 
typedef utility::pointer::shared_ptr< StructureStoreStructureStoreOP
 
typedef utility::pointer::shared_ptr< StructureStore const > StructureStoreCOP
 
typedef utility::pointer::weak_ptr< StructureStoreStructureStoreAP
 
typedef utility::pointer::shared_ptr< StructureStoreProviderStructureStoreProviderOP
 
typedef utility::pointer::shared_ptr< StructureStoreProvider const > StructureStoreProviderCOP
 

Enumerations

enum  OverlapDeleteMode { DELETE_UPSTREAM , DELETE_DOWNSTREAM }
 

Functions

static basic::Tracer TR ("core.indexed_structure_store.BinaryFragmentStoreBackend")
 
void to_json (nlohmann::json &j, const ResidueBackboneEntry &i)
 
void from_json (const nlohmann::json &j, ResidueBackboneEntry &i)
 
void to_json (nlohmann::json &j, const ResidueSidechainEntry &i)
 
void from_json (const nlohmann::json &j, ResidueSidechainEntry &i)
 
void to_json (nlohmann::json &j, const ResidueOrientEntry &i)
 
void from_json (const nlohmann::json &j, ResidueOrientEntry &i)
 
void to_json (nlohmann::json &j, const ResidueEntry &i)
 
void from_json (const nlohmann::json &j, ResidueEntry &i)
 
void to_json (nlohmann::json &j, const StructureEntry &i)
 
void from_json (const nlohmann::json &j, StructureEntry &i)
 
ndarray::Array< ResidueEntry, 1, 1 > _pose_res (core::pose::Pose &pose, core::Size start_res, core::Size end_res)
 
void to_json (nlohmann::json &j, const DirectSegmentLookupConfig &c)
 
void from_json (const nlohmann::json &j, DirectSegmentLookupConfig &c)
 
static basic::Tracer TR ("core.indexed_structure_store.DirStructureStoreBackend")
 
std::ostream & operator<< (std::ostream &os, const FragmentSpecification &s)
 
static basic::Tracer TR ("core.indexed_structure_store.FragmentStoreManager")
 
static basic::Tracer TR ("core.indexed_structure_store.JSONStructureStoreBackend")
 
void to_json (json &j, const StructureRecord &i)
 
void from_json (const json &j, StructureRecord &i)
 
ndarray::ArrayRef< float, 4, 1 > orient_array (ndarray::Array< ResidueEntry, 2 > res)
 
ndarray::ArrayRef< float, 3, 1 > orient_array (ndarray::Array< ResidueEntry, 1 > res)
 
ndarray::ArrayRef< float, 2, 1 > orient_array (ResidueEntry &src)
 
ResidueEntry extract_residue_entry (core::conformation::Residue const &res)
 
ndarray::Array< ResidueEntry, 1 > extract_residue_entries (core::pose::Pose const &pose, bool ignore_non_protein)
 
void apply_residue_entries_to_pose (ndarray::Array< ResidueEntry, 1 > residue_entries, core::pose::Pose &pose, core::Size start_residue, bool apply_bb, bool apply_sidechain, bool apply_orient)
 
core::pose::PoseOP residue_entries_to_pose (ndarray::Array< protocols::indexed_structure_store::ResidueEntry, 1 > residue_entries, std::string residue_type, bool auto_termini)
 
template<typename Range >
std::string to_str (Range range)
 
template<typename Range , typename Op >
std::vector< size_t > index_if (Range const &r, Op &pred)
 
core::pose::PoseOP initial_pose_for_residues (ndarray::Array< protocols::indexed_structure_store::ResidueEntry, 1 > residue_entries, std::string residue_type, bool auto_termini)
 
core::pose::PoseOP residue_entries_to_pose (ndarray::Array< ResidueEntry, 1 > residue_entries, std::string residue_type="fa_standard", bool auto_termini=true)
 
template<typename ResidueRange >
core::pose::PoseOP residue_entries_to_pose (ResidueRange residue_entries, std::string residue_type="fa_standard", bool auto_termini=true)
 
core::pose::PoseOP initial_pose_for_residues (ndarray::Array< ResidueEntry, 1 > residue_entries, std::string residue_type="fa_standard", bool auto_termini=true)
 
core::pose::PoseOP pose_from_store (StructureStore &store, uint32_t structure_id)
 
template<typename Module >
void bind_pose_utility (Module &m)
 
void to_json (nlohmann::json &j, const SegmentSequenceProfileConfig &c)
 
void from_json (const nlohmann::json &j, SegmentSequenceProfileConfig &c)
 
static basic::Tracer TR ("core.indexed_structure_store.SilentStructureStoreBackend")
 
template<typename Module >
void bind_StructureStore (Module &m)
 
static basic::Tracer TR ("core.indexed_structure_store.StructureStoreManager")
 
core::pose::PoseOP append_pose_by_bond (core::pose::Pose &upstream_pose, core::pose::Pose &downstream_pose)
 
core::pose::PoseOP append_pose_with_overlap (core::pose::Pose &upstream_pose, core::pose::Pose &downstream_pose, core::Size overlap, OverlapDeleteMode delete_overlap)
 

Typedef Documentation

◆ FragmentLookupAP

◆ FragmentLookupCAP

typedef utility::pointer::weak_ptr<FragmentLookup const> protocols::indexed_structure_store::FragmentLookupCAP

◆ FragmentLookupCOP

typedef utility::pointer::shared_ptr<FragmentLookup const> protocols::indexed_structure_store::FragmentLookupCOP

◆ FragmentLookupOP

◆ FragmentStoreCOP

typedef utility::pointer::shared_ptr<FragmentStore const> protocols::indexed_structure_store::FragmentStoreCOP

◆ FragmentStoreOP

◆ FragmentStoreProviderCOP

◆ FragmentStoreProviderOP

◆ SSHashedFragmentStoreCOP

◆ SSHashedFragmentStoreOP

◆ StructureStoreAP

◆ StructureStoreCOP

typedef utility::pointer::shared_ptr<StructureStore const> protocols::indexed_structure_store::StructureStoreCOP

◆ StructureStoreOP

◆ StructureStoreProviderCOP

◆ StructureStoreProviderOP

Enumeration Type Documentation

◆ OverlapDeleteMode

Enumerator
DELETE_UPSTREAM 
DELETE_DOWNSTREAM 

Function Documentation

◆ _pose_res()

ndarray::Array<ResidueEntry, 1, 1> protocols::indexed_structure_store::_pose_res ( core::pose::Pose pose,
core::Size  start_res,
core::Size  end_res 
)

◆ append_pose_by_bond()

core::pose::PoseOP protocols::indexed_structure_store::append_pose_by_bond ( core::pose::Pose upstream_pose,
core::pose::Pose downstream_pose 
)

◆ append_pose_with_overlap()

core::pose::PoseOP protocols::indexed_structure_store::append_pose_with_overlap ( core::pose::Pose upstream_pose,
core::pose::Pose downstream_pose,
core::Size  overlap,
OverlapDeleteMode  delete_overlap 
)

◆ apply_residue_entries_to_pose()

void protocols::indexed_structure_store::apply_residue_entries_to_pose ( ndarray::Array< ResidueEntry, 1 >  residue_entries,
core::pose::Pose pose,
core::Size  start_residue,
bool  apply_bb,
bool  apply_sidechain,
bool  apply_orient 
)

◆ bind_pose_utility()

template<typename Module >
void protocols::indexed_structure_store::bind_pose_utility ( Module &  m)

◆ bind_StructureStore()

template<typename Module >
void protocols::indexed_structure_store::bind_StructureStore ( Module &  m)

◆ extract_residue_entries()

ndarray::Array< ResidueEntry, 1 > protocols::indexed_structure_store::extract_residue_entries ( core::pose::Pose const &  pose,
bool  ignore_non_protein 
)

◆ extract_residue_entry()

ResidueEntry protocols::indexed_structure_store::extract_residue_entry ( core::conformation::Residue const &  res)

◆ from_json() [1/8]

void protocols::indexed_structure_store::from_json ( const json &  j,
StructureRecord i 
)
inline

◆ from_json() [2/8]

void protocols::indexed_structure_store::from_json ( const nlohmann::json &  j,
DirectSegmentLookupConfig c 
)
inline

◆ from_json() [3/8]

void protocols::indexed_structure_store::from_json ( const nlohmann::json &  j,
ResidueBackboneEntry i 
)
inline

◆ from_json() [4/8]

void protocols::indexed_structure_store::from_json ( const nlohmann::json &  j,
ResidueEntry i 
)
inline

◆ from_json() [5/8]

void protocols::indexed_structure_store::from_json ( const nlohmann::json &  j,
ResidueOrientEntry i 
)
inline

◆ from_json() [6/8]

void protocols::indexed_structure_store::from_json ( const nlohmann::json &  j,
ResidueSidechainEntry i 
)
inline

◆ from_json() [7/8]

void protocols::indexed_structure_store::from_json ( const nlohmann::json &  j,
SegmentSequenceProfileConfig c 
)
inline

◆ from_json() [8/8]

void protocols::indexed_structure_store::from_json ( const nlohmann::json &  j,
StructureEntry i 
)
inline

◆ index_if()

template<typename Range , typename Op >
std::vector<size_t> protocols::indexed_structure_store::index_if ( Range const &  r,
Op &  pred 
)

References core::scoring::pair.

◆ initial_pose_for_residues() [1/2]

core::pose::PoseOP protocols::indexed_structure_store::initial_pose_for_residues ( ndarray::Array< protocols::indexed_structure_store::ResidueEntry, 1 >  residue_entries,
std::string  residue_type,
bool  auto_termini 
)

◆ initial_pose_for_residues() [2/2]

core::pose::PoseOP protocols::indexed_structure_store::initial_pose_for_residues ( ndarray::Array< ResidueEntry, 1 >  residue_entries,
std::string  residue_type = "fa_standard",
bool  auto_termini = true 
)

◆ operator<<()

std::ostream& protocols::indexed_structure_store::operator<< ( std::ostream &  os,
const FragmentSpecification s 
)

◆ orient_array() [1/3]

ndarray::ArrayRef<float, 3, 1> protocols::indexed_structure_store::orient_array ( ndarray::Array< ResidueEntry, 1 >  res)
inline

◆ orient_array() [2/3]

ndarray::ArrayRef<float, 4, 1> protocols::indexed_structure_store::orient_array ( ndarray::Array< ResidueEntry, 2 >  res)
inline

◆ orient_array() [3/3]

ndarray::ArrayRef<float, 2, 1> protocols::indexed_structure_store::orient_array ( ResidueEntry src)
inline

◆ pose_from_store()

core::pose::PoseOP protocols::indexed_structure_store::pose_from_store ( StructureStore store,
uint32_t  structure_id 
)

◆ residue_entries_to_pose() [1/3]

core::pose::PoseOP protocols::indexed_structure_store::residue_entries_to_pose ( ndarray::Array< protocols::indexed_structure_store::ResidueEntry, 1 >  residue_entries,
std::string  residue_type,
bool  auto_termini 
)

◆ residue_entries_to_pose() [2/3]

core::pose::PoseOP protocols::indexed_structure_store::residue_entries_to_pose ( ndarray::Array< ResidueEntry, 1 >  residue_entries,
std::string  residue_type = "fa_standard",
bool  auto_termini = true 
)

◆ residue_entries_to_pose() [3/3]

template<typename ResidueRange >
core::pose::PoseOP protocols::indexed_structure_store::residue_entries_to_pose ( ResidueRange  residue_entries,
std::string  residue_type = "fa_standard",
bool  auto_termini = true 
)

◆ to_json() [1/8]

void protocols::indexed_structure_store::to_json ( json &  j,
const StructureRecord i 
)
inline

◆ to_json() [2/8]

void protocols::indexed_structure_store::to_json ( nlohmann::json &  j,
const DirectSegmentLookupConfig c 
)
inline

◆ to_json() [3/8]

void protocols::indexed_structure_store::to_json ( nlohmann::json &  j,
const ResidueBackboneEntry i 
)
inline

◆ to_json() [4/8]

void protocols::indexed_structure_store::to_json ( nlohmann::json &  j,
const ResidueEntry i 
)
inline

◆ to_json() [5/8]

void protocols::indexed_structure_store::to_json ( nlohmann::json &  j,
const ResidueOrientEntry i 
)
inline

◆ to_json() [6/8]

void protocols::indexed_structure_store::to_json ( nlohmann::json &  j,
const ResidueSidechainEntry i 
)
inline

◆ to_json() [7/8]

void protocols::indexed_structure_store::to_json ( nlohmann::json &  j,
const SegmentSequenceProfileConfig c 
)
inline

◆ to_json() [8/8]

void protocols::indexed_structure_store::to_json ( nlohmann::json &  j,
const StructureEntry i 
)
inline

◆ to_str()

template<typename Range >
std::string protocols::indexed_structure_store::to_str ( Range  range)

◆ TR() [1/6]

static basic::Tracer protocols::indexed_structure_store::TR ( "core.indexed_structure_store.BinaryFragmentStoreBackend"  )
static

◆ TR() [2/6]

static basic::Tracer protocols::indexed_structure_store::TR ( "core.indexed_structure_store.DirStructureStoreBackend"  )
static

◆ TR() [3/6]

static basic::Tracer protocols::indexed_structure_store::TR ( "core.indexed_structure_store.FragmentStoreManager"  )
static

◆ TR() [4/6]

static basic::Tracer protocols::indexed_structure_store::TR ( "core.indexed_structure_store.JSONStructureStoreBackend"  )
static

◆ TR() [5/6]

static basic::Tracer protocols::indexed_structure_store::TR ( "core.indexed_structure_store.SilentStructureStoreBackend"  )
static

◆ TR() [6/6]

static basic::Tracer protocols::indexed_structure_store::TR ( "core.indexed_structure_store.StructureStoreManager"  )
static