Package Chem :: Module rdfragcatalog :: Class FragCatalog

Class FragCatalog

 object --+    
          |    
??.instance --+
              |
             FragCatalog

Instance Methods

[hide private]

GetBitDescription(...)
C++ signature:...

GetBitDiscrims(...)
C++ signature:...

GetBitEntryId(...)
C++ signature:...

GetBitFuncGroupIds(...)
C++ signature:...

GetBitOrder(...)
C++ signature:...

GetCatalogParams(...)
C++ signature:...

GetEntryBitId(...)
C++ signature:...

GetEntryDescription(...)
C++ signature:...

GetEntryDownIds(...)
C++ signature:...

GetEntryFuncGroupIds(...)
C++ signature:...

GetEntryOrder(...)
C++ signature:...

GetFPLength(...)
C++ signature:...

GetNumEntries(...)
C++ signature:...

Serialize(...)
C++ signature:...

__getinitargs__(...)
C++ signature:...

__init__(...)
C++ signature:...

__reduce__(...)
helper for pickle

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __str__

Class Variables

[hide private]

__instance_size__ = 68

__safe_for_unpickling__ = True

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

GetBitDescription(...)

C++ signature:
GetBitDescription(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*, unsigned int) -> std::string

GetBitDiscrims(...)

C++ signature:
GetBitDiscrims(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*, unsigned int) -> std::vector<double, std::allocator<double> >

GetBitEntryId(...)

C++ signature:
GetBitEntryId(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*, unsigned int) -> unsigned int

GetBitFuncGroupIds(...)

C++ signature:
GetBitFuncGroupIds(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*, unsigned int) -> std::vector<int, std::allocator<int> >

GetBitOrder(...)

C++ signature:
GetBitOrder(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*, unsigned int) -> unsigned int

GetCatalogParams(...)

C++ signature:
GetCatalogParams(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> {lvalue}) -> RDKit::FragCatParams*

GetEntryBitId(...)

C++ signature:
GetEntryBitId(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*, unsigned int) -> unsigned int

GetEntryDescription(...)

C++ signature:
GetEntryDescription(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*, unsigned int) -> std::string

GetEntryDownIds(...)

C++ signature:
GetEntryDownIds(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*, unsigned int) -> std::vector<int, std::allocator<int> >

GetEntryFuncGroupIds(...)

C++ signature:
GetEntryFuncGroupIds(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*, unsigned int) -> std::vector<int, std::allocator<int> >

GetEntryOrder(...)

C++ signature:
GetEntryOrder(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> const*, unsigned int) -> unsigned int

GetFPLength(...)

C++ signature:
GetFPLength(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> {lvalue}) -> unsigned int

GetNumEntries(...)

C++ signature:
GetNumEntries(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> {lvalue}) -> unsigned int

Serialize(...)

C++ signature:
Serialize(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int> {lvalue}) -> std::string

getinitargs(...)

C++ signature:
__getinitargs__(RDCatalog::HierarchCatalog<RDKit::FragCatalogEntry, RDKit::FragCatParams, int>) -> boost::python::tuple

init(...)
(Constructor)

C++ signature:
    __init__(_object*, RDKit::FragCatParams*) -> void*
C++ signature:
    __init__(_object*, std::string) -> void*

Overrides: object.__init__

reduce(...)

helper for pickle

Overrides: object.__reduce__: (inherited documentation)

Class FragCatalog

GetBitDescription(...)

GetBitDiscrims(...)

GetBitEntryId(...)

GetBitFuncGroupIds(...)

GetBitOrder(...)

GetCatalogParams(...)

GetEntryBitId(...)

GetEntryDescription(...)

GetEntryDownIds(...)

GetEntryFuncGroupIds(...)

GetEntryOrder(...)

GetFPLength(...)

GetNumEntries(...)

Serialize(...)

__getinitargs__(...)

__init__(...) (Constructor)

__reduce__(...)

getinitargs(...)

init(...)
(Constructor)

reduce(...)