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

FeatureContainer. More...

+ Inheritance diagram for CDPL.Pharm.FeatureContainer:

Public Member Functions

None __init__ ()
 Initializes the FeatureContainer instance.
 
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...
 
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)
 
bool __delitem__ (Base.LookupKey key)
 
- 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)
 

Properties

 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

FeatureContainer.

Member Function Documentation

◆ getFeature()

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

Returns a reference to the pharmacophore feature at index idx.

Parameters
idxThe zero-based index of the feature to return.
Returns
A reference to the feature at the specified index.
Exceptions
Base.IndexErrorif the number of features is zero or idx is not in the range [0, getNumFeatures() - 1].

Reimplemented in CDPL.Pharm.Pharmacophore.

◆ containsFeature()

bool CDPL.Pharm.FeatureContainer.containsFeature ( Feature  ftr)
Parameters
ftr
Returns

Reimplemented in CDPL.Pharm.Pharmacophore.

◆ getFeatureIndex()

int CDPL.Pharm.FeatureContainer.getFeatureIndex ( Feature  ftr)
Parameters
ftr
Returns

Reimplemented in CDPL.Pharm.Pharmacophore.

◆ getNumFeatures()

int CDPL.Pharm.FeatureContainer.getNumFeatures ( )

Returns the number of contained features.

Returns
The number of features.

Reimplemented in CDPL.Pharm.Pharmacophore.

◆ getEntity()

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

Returns a reference to the entity at index idx.

Parameters
idxThe zero-based index of the Chem.Entity3D instance to return.
Returns
A reference to the entity at the specified index.
Exceptions
Base.IndexErrorif the number of entities is zero or idx is not in the range [0, getNumEntities() - 1].

Reimplemented from CDPL.Chem.Entity3DContainer.

Reimplemented in CDPL.Pharm.Pharmacophore.

◆ getNumEntities()

int CDPL.Pharm.FeatureContainer.getNumEntities ( )

Returns the number of stored Chem.Entity3D objects.

Returns
The number of stored Chem.Entity3D objects.

Reimplemented from CDPL.Chem.Entity3DContainer.

Reimplemented in CDPL.Pharm.Pharmacophore.

◆ __contains__() [1/2]

bool CDPL.Pharm.FeatureContainer.__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 in CDPL.Pharm.Pharmacophore, and CDPL.Pharm.FeatureSet.

◆ __contains__() [2/2]

bool CDPL.Pharm.FeatureContainer.__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 in CDPL.Pharm.Pharmacophore, and CDPL.Pharm.FeatureSet.

◆ __getitem__() [1/2]

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

Reimplemented from CDPL.Chem.Entity3DContainer.

Reimplemented in CDPL.Pharm.Pharmacophore, and CDPL.Pharm.FeatureSet.

◆ __getitem__() [2/2]

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

Reimplemented in CDPL.Pharm.Pharmacophore, and CDPL.Pharm.FeatureSet.

◆ __len__()

int CDPL.Pharm.FeatureContainer.__len__ ( )
Returns

Reimplemented from CDPL.Base.PropertyContainer.

Reimplemented in CDPL.Pharm.Pharmacophore, and CDPL.Pharm.FeatureSet.

◆ __setitem__()

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

Reimplemented in CDPL.Pharm.Pharmacophore, and CDPL.Pharm.FeatureSet.

◆ __delitem__()

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

Reimplemented in CDPL.Pharm.Pharmacophore, and CDPL.Pharm.FeatureSet.