Concrete implementation of the Pharm.FeatureContainer interface that stores references to selectable Pharm.Feature instances. More...

Inheritance diagram for CDPL.Pharm.FeatureSet:

Public Member Functions
None	__init__ ()
	Constructs an empty `FeatureSet` instance.

None	__init__ (FeatureSet ftr_set)
	Constructs a copy of the `FeatureSet` instance ftr_set. More...

None	__init__ (FeatureContainer cntnr)
	Constructs a `FeatureSet` instance storing the features and properties of the feature container cntnr. More...

FeatureSet	assign (FeatureSet ftr_set)
	Replaces the current set of features and properties by the features and properties of the feature set ftr_set. More...

FeatureSet	assign (FeatureContainer cntnr)
	Replaces the current set of features and properties by the features and properties of the feature container cntnr. More...

bool	addFeature (Feature feature)
	Extends the feature set by the specified feature. More...

None	removeFeature (int idx)
	Removes the feature at the specified index. More...

bool	removeFeature (Feature feature)
	Removes the specified feature. More...

None	clear ()
	Removes all features and properties.

Base.Any	__getitem__ (Base.LookupKey key)

Feature	__getitem__ (int idx)

bool	__contains__ (Base.LookupKey key)
	Returns the result of the membership test operation `key in self`. More...

bool	__contains__ (Feature feature)
	Returns the result of the membership test operation `feature in self`. More...

None	__setitem__ (Base.LookupKey key, Base.Any value)

bool	__delitem__ (Base.LookupKey key)

int	__len__ ()

FeatureSet	__iadd__ (FeatureContainer cntnr)
	Extends the current set of features by the features in the feature container cntnr. More...

FeatureSet	__isub__ (FeatureContainer cntnr)
	Removes the pharmacophore features referenced by the feature container cntnr from this `FeatureSet` instance. More...

Public Member Functions inherited from CDPL.Pharm.FeatureContainer
Feature	getFeature (int idx)
	Returns a reference to the feature at index idx. More...

bool	containsFeature (Feature feature)
	Tells whether the specified feature is part of the feature set. More...

int	getFeatureIndex (Feature feature)
	Returns the index of the specified feature. More...

int	getNumFeatures ()
	Returns the number of features. More...

None	orderFeatures (BoolFeature2Functor func)
	Orders the features according to criteria implemented by the provided feature comparison function. More...

Chem.Entity3D	getEntity (int idx)
	Returns a reference to the entity at index idx. More...

int	getNumEntities ()
	Returns the number of entities. More...

Public Member Functions inherited from CDPL.Chem.Entity3DContainer
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...

Public Member Functions inherited from CDPL.Base.PropertyContainer
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...

int	getNumProperties ()
	Returns the number of property entries. More...

Any	getPropertyOrDefault (LookupKey key, Any def_value)

list	getPropertyKeys ()

list	getPropertyValues ()

list	getProperties ()
	Returns a reference to itself. More...

None	setProperty (LookupKey key, Any value)

bool	removeProperty (LookupKey key)
	Clears the value of the property specified by key. More...

Any	getProperty (LookupKey key, bool throw_=False)
	Returns the value of the property specified by key. More...

bool	isPropertySet (LookupKey key)
	Tells whether or not a value has been assigned to the property specified by key. More...

None	clearProperties ()
	Clears all property values.

None	addProperties (PropertyContainer cntnr)
	Adds the property value entries in the `PropertyContainer` instance cntnr. More...

None	copyProperties (PropertyContainer cntnr)
	Replaces the current set of properties by a copy of the entries in cntnr. More...

None	swap (PropertyContainer cntnr)
	Exchanges the properties of this container with the properties of the container cntnr. More...

Any	__getitem__ (LookupKey key)
	Returns the value of the property specified by key. More...

bool	__contains__ (LookupKey key)
	Returns the result of the membership test operation `key in self`. More...

None	__setitem__ (LookupKey key, Any value)

bool	__delitem__ (LookupKey key)

Additional Inherited Members
Properties inherited from CDPL.Pharm.FeatureContainer
	numFeatures = property(getNumFeatures)

Properties inherited from CDPL.Chem.Entity3DContainer
	objectID = property(getObjectID)

	numEntities = property(getNumEntities)

Properties inherited from CDPL.Base.PropertyContainer
	objectID = property(getObjectID)

	propertyKeys = property(getPropertyKeys)

	propertyValues = property(getPropertyValues)

	properties = property(getProperties)

	numProperties = property(getNumProperties)

Detailed Description

Concrete implementation of the Pharm.FeatureContainer interface that stores references to selectable Pharm.Feature instances.

Unlike a Pharm.Pharmacophore instance, a FeatureSet object does not own its features. It is typically used to represent subsets/selections of features that live elsewhere.

Note: Since FeatureSet does not own the stored features they must outlive any FeatureSet instance that references them!

Constructor & Destructor Documentation

◆ init() [1/2]

None CDPL.Pharm.FeatureSet.__init__ ( FeatureSet ftr_set )

Constructs a copy of the FeatureSet instance ftr_set.

Parameters

ftr_set The other FeatureSet instance to copy.

◆ init() [2/2]

None CDPL.Pharm.FeatureSet.__init__ ( FeatureContainer cntnr )

Constructs a FeatureSet instance storing the features and properties of the feature container cntnr.

Parameters

cntnr The feature container providing the features and properties to store.

Member Function Documentation

◆ assign() [1/2]

FeatureSet CDPL.Pharm.FeatureSet.assign ( FeatureSet ftr_set )

Replaces the current set of features and properties by the features and properties of the feature set ftr_set.

Parameters

ftr_set The feature set to copy.

Returns: self

◆ assign() [2/2]

FeatureSet CDPL.Pharm.FeatureSet.assign ( FeatureContainer cntnr )

Replaces the current set of features and properties by the features and properties of the feature container cntnr.

Parameters

cntnr The feature container providing the features and properties to copy.

Returns: self

◆ addFeature()

bool CDPL.Pharm.FeatureSet.addFeature ( Feature feature )

Extends the feature set by the specified feature.

Parameters

feature The feature to add.

Returns: True if the feature was not already a part of the feature set, and False otherwise.

◆ removeFeature() [1/2]

None CDPL.Pharm.FeatureSet.removeFeature ( int idx )

Removes the feature at the specified index.

Parameters

idx	The zero-based index of the feature to remove.

Exceptions

Base.IndexError if idx is not in the range [0, getNumFeatures()).

◆ removeFeature() [2/2]

bool CDPL.Pharm.FeatureSet.removeFeature ( Feature feature )

Removes the specified feature.

Parameters

feature The feature to remove.

Returns: True if the feature was part of the feature set and has been removed, and False otherwise.

◆ contains() [1/2]

bool CDPL.Pharm.FeatureSet.__contains__ ( Base.LookupKey key )

Returns the result of the membership test operation key in self.

Parameters

key	The value to test for membership.

Returns: The result of the membership test operation.

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ contains() [2/2]

bool CDPL.Pharm.FeatureSet.__contains__ ( Feature feature )

Returns the result of the membership test operation feature in self.

Parameters

feature The value to test for membership.

Returns: The result of the membership test operation.

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ iadd()

FeatureSet CDPL.Pharm.FeatureSet.__iadd__ ( FeatureContainer cntnr )

Extends the current set of features by the features in the feature container cntnr.

Parameters

cntnr The feature container providing the features to append.

Returns: self

Note: Does not affect any properties.

◆ isub()

FeatureSet CDPL.Pharm.FeatureSet.__isub__ ( FeatureContainer cntnr )

Removes the pharmacophore features referenced by the feature container cntnr from this FeatureSet instance.

Parameters

cntnr The feature container providing the features to remove.

Returns: self

Note: Equivalent to clear() if this == &cntr.

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ __init__() [1/2]

◆ __init__() [2/2]

Member Function Documentation

◆ assign() [1/2]

◆ assign() [2/2]

◆ addFeature()

◆ removeFeature() [1/2]

◆ removeFeature() [2/2]

◆ __contains__() [1/2]

◆ __contains__() [2/2]

◆ __iadd__()

◆ __isub__()

◆ init() [1/2]

◆ init() [2/2]

◆ contains() [1/2]

◆ contains() [2/2]

◆ iadd()

◆ isub()