Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | List of all members
CDPL.Pharm.FeatureSet Class Reference

FeatureSet. 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 ftr)
 Extends the feature set by the specified feature. More...
 
None removeFeature (int idx)
 Removes the feature at the specified index. More...
 
bool removeFeature (Feature ftr)
 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 ftr)
 Returns the result of the membership test operation ftr in self. More...
 
None __setitem__ (Base.LookupKey key, Base.Any value)
 
bool __delitem__ (Base.LookupKey key)
 
int __len__ ()
 
FeatureSet __iadd__ (FeatureContainer cntnr)
 Performs the in-place addition operation self += cntnr. More...
 
FeatureSet __isub__ (FeatureContainer cntnr)
 Performs the in-place subtraction operation self -= cntnr. More...
 
- Public Member Functions inherited from CDPL.Pharm.FeatureContainer
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 contained features. More...
 
Chem.Entity3D getEntity (int idx)
 Returns a reference to the entity at index idx. More...
 
int getNumEntities ()
 Returns the number of stored Chem.Entity3D objects. 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)
 
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

FeatureSet.

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_setThe 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
cntnrThe Pharm.FeatureContainer instance 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_setThe 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
cntnrThe Pharm.FeatureContainer instance providing the features and properties to copy.
Returns
self

◆ addFeature()

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

Extends the feature set by the specified feature.

Parameters
ftrThe 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
idxThe zero-based index of the feature to remove.
Exceptions
Base.IndexErrorif the number of features is zero or idx is not in the range [0, getNumFeatures() - 1].

◆ removeFeature() [2/2]

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

Removes the specified feature.

Parameters
ftrThe feature to remove.
Returns
True if the feature was part of the feature set and has been removed, and False otherwise.

◆ __getitem__() [1/2]

Base.Any CDPL.Pharm.FeatureSet.__getitem__ ( Base.LookupKey  key)
Parameters
key
Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ __getitem__() [2/2]

Feature CDPL.Pharm.FeatureSet.__getitem__ ( int  idx)
Parameters
idx
Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ __contains__() [1/2]

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

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

Parameters
keyThe 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  ftr)

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

Parameters
ftrThe value to test for membership.
Returns
The result of the membership test operation.

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ __setitem__()

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

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ __delitem__()

bool CDPL.Pharm.FeatureSet.__delitem__ ( Base.LookupKey  key)
Parameters
key
Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ __len__()

int CDPL.Pharm.FeatureSet.__len__ ( )
Returns

Reimplemented from CDPL.Pharm.FeatureContainer.

◆ __iadd__()

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

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

Parameters
cntnrSpecifies the second addend.
Returns
The updated FeatureSet instance self.

◆ __isub__()

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

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

Parameters
cntnrSpecifies the subtrahend.
Returns
The updated FeatureSet instance self.