Inheritance diagram for CDPL.Pharm.Pharmacophore:

Public Member Functions
None	__init__ ()
	Initializes the Pharmacophore instance.

None	clear ()
	Removes all features and clears all properties of the pharmacophore.

Feature	addFeature ()
	Creates a new pharmacophore feature and adds it to the pharmacophore. More...

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

None	copy (Pharmacophore pharm)
	Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the pharmacophore pharm. More...

None	copy (FeatureContainer cntnr)
	Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the feature container cntnr. More...

None	append (Pharmacophore pharm)
	Extends the current set of pharmacophore features by a copy of the features in the pharmacophore pharm. More...

None	append (FeatureContainer cntnr)
	Extends the current set of pharmacophore features by a copy of the features in the feature container cntnr. More...

None	remove (FeatureContainer cntnr)
	Removes the pharmacophore features referenced by the feature container cntnr from this `Pharmacophore` instance. More...

Pharmacophore	assign (Pharmacophore pharm)
	Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the pharmacophore pharm. More...

Pharmacophore	assign (FeatureContainer cntnr)
	Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the feature container cntnr. More...

Pharmacophore	clone ()
	Creates a copy of the current pharmacophore state. More...

Feature	getFeature (int idx)
	Returns a reference to the pharmacophore feature at index idx. More...

bool	containsFeature (Feature ftr)

int	getFeatureIndex (Feature ftr)

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

Chem.Entity3D	getEntity (int idx)

int	getNumEntities ()

tuple	__getstate__ ()

Pharmacophore	__iadd__ (Pharmacophore pharm)
	Performs the in-place addition operation `self += pharm`. More...

Pharmacophore	__iadd__ (FeatureContainer cntnr)
	Performs the in-place addition operation `self += cntnr`. More...

Pharmacophore	__isub__ (FeatureContainer cntnr)
	Performs the in-place subtraction operation `self -= cntnr`. More...

None	__delitem__ (int idx)

bool	__delitem__ (Base.LookupKey key)

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

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

Feature	__getitem__ (int idx)

Base.Any	__getitem__ (Base.LookupKey key)

int	__len__ ()

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

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)

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

Pharmacophore.

Member Function Documentation

◆ addFeature()

Feature CDPL.Pharm.Pharmacophore.addFeature ( )

Creates a new pharmacophore feature and adds it to the pharmacophore.

Returns: A reference to the newly created features.

◆ removeFeature()

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

Removes the pharmacophore feature at the specified index.

Parameters

idx	The index of the feature to remove.

Exceptions

Base.IndexError if the number of features is zero or idx is not in the range [0, getNumFeatures() - 1].

◆ copy() [1/2]

None CDPL.Pharm.Pharmacophore.copy ( Pharmacophore pharm )

Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the pharmacophore pharm.

Parameters

pharm The pharmacophore to copy.

Reimplemented in CDPL.Pharm.BasicPharmacophore.

◆ copy() [2/2]

None CDPL.Pharm.Pharmacophore.copy ( FeatureContainer cntnr )

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

Parameters

cntnr The Pharm.FeatureContainer instance providing the features and properties to copy.

Reimplemented in CDPL.Pharm.BasicPharmacophore.

◆ append() [1/2]

None CDPL.Pharm.Pharmacophore.append ( Pharmacophore pharm )

Extends the current set of pharmacophore features by a copy of the features in the pharmacophore pharm.

Parameters

pharm The pharmacophore providing the features to append.

Note: Does not affect any properties.

Reimplemented in CDPL.Pharm.BasicPharmacophore.

◆ append() [2/2]

None CDPL.Pharm.Pharmacophore.append ( FeatureContainer cntnr )

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

Parameters

cntnr The Pharm.FeatureContainer instance providing the features to append.

Note: Does not affect any properties.

Reimplemented in CDPL.Pharm.BasicPharmacophore.

◆ remove()

None CDPL.Pharm.Pharmacophore.remove ( FeatureContainer cntnr )

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

Parameters

cntnr The Pharm.FeatureContainer instance providing the features to remove.

Note: Does not affect any properties if this != &cntr.

◆ assign() [1/2]

Pharmacophore CDPL.Pharm.Pharmacophore.assign ( Pharmacophore pharm )

Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the pharmacophore pharm.

Internally calls copy() to perform the actual work.

Parameters

pharm The pharmacophore to copy.

Returns: self

Reimplemented in CDPL.Pharm.BasicPharmacophore.

◆ assign() [2/2]

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

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

Internally calls copy() to perform the actual work.

Parameters

cntnr The Pharm.FeatureContainer instance providing the features and properties to copy.

Returns: self

Reimplemented in CDPL.Pharm.BasicPharmacophore.

◆ clone()

Pharmacophore CDPL.Pharm.Pharmacophore.clone ( )

Creates a copy of the current pharmacophore state.

Returns: A smart reference to the copy of the pharmacophore.

◆ getFeature()

Feature CDPL.Pharm.Pharmacophore.getFeature ( int idx )

Returns a reference to the pharmacophore feature at index idx.

Parameters

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

Returns: A reference to the feature at the specified index.

Exceptions

Base.IndexError if the number of featuress is zero or idx is not in the range [0, getNumFeatures() - 1].

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ containsFeature()

bool CDPL.Pharm.Pharmacophore.containsFeature ( Feature ftr )

Parameters

ftr

Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ getFeatureIndex()

int CDPL.Pharm.Pharmacophore.getFeatureIndex ( Feature ftr )

Parameters

ftr

Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ getNumFeatures()

int CDPL.Pharm.Pharmacophore.getNumFeatures ( )

Returns the number of pharmacophore features.

Returns: The number of features.

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ getEntity()

Chem.Entity3D CDPL.Pharm.Pharmacophore.getEntity ( int idx )

Parameters

idx

Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ getNumEntities()

int CDPL.Pharm.Pharmacophore.getNumEntities ( )

Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ getstate()

tuple CDPL.Pharm.Pharmacophore.__getstate__ ( )

Parameters

arg1

Returns

◆ iadd() [1/2]

Pharmacophore CDPL.Pharm.Pharmacophore.__iadd__ ( Pharmacophore pharm )

Performs the in-place addition operation self += pharm.

Parameters

pharm Specifies the second addend.

Returns: The updated Pharmacophore instance self.

Reimplemented in CDPL.Pharm.BasicPharmacophore.

◆ iadd() [2/2]

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

Performs the in-place addition operation self += cntnr.

Parameters

cntnr Specifies the second addend.

Returns: The updated Pharmacophore instance self.

Reimplemented in CDPL.Pharm.BasicPharmacophore.

◆ isub()

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

Performs the in-place subtraction operation self -= cntnr.

Parameters

cntnr Specifies the subtrahend.

Returns: The updated Pharmacophore instance self.

◆ delitem() [1/2]

None CDPL.Pharm.Pharmacophore.__delitem__ ( int idx )

Parameters

idx

◆ delitem() [2/2]

bool CDPL.Pharm.Pharmacophore.__delitem__ ( Base.LookupKey key )

Parameters

key

Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ contains() [1/2]

bool CDPL.Pharm.Pharmacophore.__contains__ ( Feature ftr )

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

Parameters

ftr	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.Pharmacophore.__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.

◆ getitem() [1/2]

Feature CDPL.Pharm.Pharmacophore.__getitem__ ( int idx )

Parameters

idx

Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ getitem() [2/2]

Base.Any CDPL.Pharm.Pharmacophore.__getitem__ ( Base.LookupKey key )

Parameters

key

Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ len()

int CDPL.Pharm.Pharmacophore.__len__ ( )

Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ setitem()

None CDPL.Pharm.Pharmacophore.__setitem__	(	Base.LookupKey	key,
		Base.Any	value
	)

Parameters

key
value

Reimplemented from CDPL.Pharm.FeatureContainer.

Public Member Functions

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ addFeature()

◆ removeFeature()

◆ copy() [1/2]

◆ copy() [2/2]

◆ append() [1/2]

◆ append() [2/2]

◆ remove()

◆ assign() [1/2]

◆ assign() [2/2]

◆ clone()

◆ getFeature()

◆ containsFeature()

◆ getFeatureIndex()

◆ getNumFeatures()

◆ getEntity()

◆ getNumEntities()

◆ __getstate__()

◆ __iadd__() [1/2]

◆ __iadd__() [2/2]

◆ __isub__()

◆ __delitem__() [1/2]

◆ __delitem__() [2/2]

◆ __contains__() [1/2]

◆ __contains__() [2/2]

◆ __getitem__() [1/2]

◆ __getitem__() [2/2]

◆ __len__()

◆ __setitem__()

◆ getstate()

◆ iadd() [1/2]

◆ iadd() [2/2]

◆ isub()

◆ delitem() [1/2]

◆ delitem() [2/2]

◆ contains() [1/2]

◆ contains() [2/2]

◆ getitem() [1/2]

◆ getitem() [2/2]

◆ len()

◆ setitem()