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

BasicPharmacophore. More...

+ Inheritance diagram for CDPL.Pharm.BasicPharmacophore:

Public Member Functions

None __init__ ()
 Constructs an empty BasicPharmacophore instance.
 
None __init__ (BasicPharmacophore pharm)
 Constructs a copy of the Pharm.Pharmacophore instance pharm. More...
 
None __init__ (Pharmacophore pharm)
 Constructs a copy of the Pharm.Pharmacophore instance pharm. More...
 
None __init__ (FeatureContainer cntnr)
 Constructs a BasicPharmacophore instance with copies of the features in the Pharm.FeatureContainer instance cntnr. More...
 
None copy (BasicPharmacophore 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 (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 (BasicPharmacophore pharm)
 Extends the current set of pharmacophore features by a copy of the features in the pharmacophore pharm. 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...
 
BasicPharmacophore assign (BasicPharmacophore pharm)
 Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the pharmacophore pharm. More...
 
BasicPharmacophore 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...
 
BasicPharmacophore 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...
 
BasicPharmacophore __iadd__ (BasicPharmacophore pharm)
 Performs the in-place addition operation self += pharm. More...
 
BasicPharmacophore __iadd__ (Pharmacophore pharm)
 Performs the in-place addition operation self += pharm. More...
 
BasicPharmacophore __iadd__ (FeatureContainer cntnr)
 Performs the in-place addition operation self += cntnr. More...
 
- Public Member Functions inherited from CDPL.Pharm.Pharmacophore
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 remove (FeatureContainer cntnr)
 Removes the pharmacophore features referenced by the feature container cntnr from this Pharmacophore instance. 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 __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

BasicPharmacophore.

Constructor & Destructor Documentation

◆ __init__() [1/3]

None CDPL.Pharm.BasicPharmacophore.__init__ ( BasicPharmacophore  pharm)

Constructs a copy of the Pharm.Pharmacophore instance pharm.

Parameters
pharmThe other Pharm.Pharmacophore instance to copy.

◆ __init__() [2/3]

None CDPL.Pharm.BasicPharmacophore.__init__ ( Pharmacophore  pharm)

Constructs a copy of the Pharm.Pharmacophore instance pharm.

Parameters
pharmThe other Pharm.Pharmacophore instance to copy.

◆ __init__() [3/3]

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

Constructs a BasicPharmacophore instance with copies of the features in the Pharm.FeatureContainer instance cntnr.

Parameters
cntnrThe Pharm.FeatureContainer instance with the features to copy.

Member Function Documentation

◆ copy() [1/3]

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

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

Parameters
pharmThe pharmacophore to copy.

◆ copy() [2/3]

None CDPL.Pharm.BasicPharmacophore.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
pharmThe pharmacophore to copy.

Reimplemented from CDPL.Pharm.Pharmacophore.

◆ copy() [3/3]

None CDPL.Pharm.BasicPharmacophore.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
cntnrThe Pharm.FeatureContainer instance providing the features and properties to copy.

Reimplemented from CDPL.Pharm.Pharmacophore.

◆ append() [1/3]

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

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

Parameters
pharmThe pharmacophore providing the features to append.
Note
Does not affect any properties.

◆ append() [2/3]

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

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

Parameters
pharmThe pharmacophore providing the features to append.
Note
Does not affect any properties.

Reimplemented from CDPL.Pharm.Pharmacophore.

◆ append() [3/3]

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

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

Parameters
cntnrThe Pharm.FeatureContainer instance providing the features to append.
Note
Does not affect any properties.

Reimplemented from CDPL.Pharm.Pharmacophore.

◆ assign() [1/3]

BasicPharmacophore CDPL.Pharm.BasicPharmacophore.assign ( BasicPharmacophore  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
pharmThe pharmacophore to copy.
Returns
self

◆ assign() [2/3]

BasicPharmacophore CDPL.Pharm.BasicPharmacophore.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
pharmThe pharmacophore to copy.
Returns
self

Reimplemented from CDPL.Pharm.Pharmacophore.

◆ assign() [3/3]

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

Reimplemented from CDPL.Pharm.Pharmacophore.

◆ __iadd__() [1/3]

BasicPharmacophore CDPL.Pharm.BasicPharmacophore.__iadd__ ( BasicPharmacophore  pharm)

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

Parameters
pharmSpecifies the second addend.
Returns
The updated BasicPharmacophore instance self.

◆ __iadd__() [2/3]

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

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

Parameters
pharmSpecifies the second addend.
Returns
The updated BasicPharmacophore instance self.

Reimplemented from CDPL.Pharm.Pharmacophore.

◆ __iadd__() [3/3]

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

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

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

Reimplemented from CDPL.Pharm.Pharmacophore.