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Chemical Data Processing Library Python API - Version 1.4.0
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Chemical Data Processing Library Python API - Version 1.4.0
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Concrete Pharm.Pharmacophore implementation that owns its features as Pharm.BasicFeature instances managed through an internal object pool. More...
Inheritance diagram for CDPL.Pharm.BasicPharmacophore:Public Member Functions | |
| None | __init__ () |
Constructs an empty BasicPharmacophore instance. | |
| None | __init__ (BasicPharmacophore pharm) |
Constructs a BasicPharmacophore instance that is a copy of the pharmacophore pharm. More... | |
| None | __init__ (Pharmacophore pharm) |
Constructs a BasicPharmacophore instance that is a copy of the pharmacophore pharm. More... | |
| None | __init__ (FeatureContainer cntnr) |
Constructs a BasicPharmacophore instance with copies of the features provided by the feature container 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 features by a copy of the features in the pharmacophore pharm. More... | |
| None | append (Pharmacophore pharm) |
| Extends the current set of 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) |
| Extends the current set of pharmacophore features by a copy of the features in the pharmacophore pharm. More... | |
| BasicPharmacophore | __iadd__ (Pharmacophore pharm) |
| Extends the current set of pharmacophore features by a copy of the features in the pharmacophore pharm. More... | |
| BasicPharmacophore | __iadd__ (FeatureContainer cntnr) |
| Extends the current set of pharmacophore features by a copy of the features in the feature container 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 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... | |
| None | orderFeatures (BoolFeature2Functor func) |
| Chem.Entity3D | getEntity (int idx) |
| int | getNumEntities () |
| tuple | __getstate__ () |
| Pharmacophore | __isub__ (FeatureContainer cntnr) |
Removes the pharmacophore features referenced by the feature container cntnr from this Pharmacophore instance. More... | |
| None | __delitem__ (int idx) |
| bool | __delitem__ (Base.LookupKey key) |
| 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) |
| int | __len__ () |
| 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) | |
Concrete Pharm.Pharmacophore implementation that owns its features as Pharm.BasicFeature instances managed through an internal object pool.
| None CDPL.Pharm.BasicPharmacophore.__init__ | ( | BasicPharmacophore | pharm | ) |
Constructs a BasicPharmacophore instance that is a copy of the pharmacophore pharm.
| pharm | The other pharmacophore instance to copy. |
| None CDPL.Pharm.BasicPharmacophore.__init__ | ( | Pharmacophore | pharm | ) |
Constructs a BasicPharmacophore instance that is a copy of the pharmacophore pharm.
| pharm | The other pharmacophore instance to copy. |
| None CDPL.Pharm.BasicPharmacophore.__init__ | ( | FeatureContainer | cntnr | ) |
Constructs a BasicPharmacophore instance with copies of the features provided by the feature container cntnr.
| cntnr | The feature container providing the features to copy. |
| 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.
| pharm | The pharmacophore to copy. |
| 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.
| pharm | The pharmacophore to copy. |
Reimplemented from CDPL.Pharm.Pharmacophore.
| 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.
| cntnr | The feature container providing the features and properties to copy. |
Reimplemented from CDPL.Pharm.Pharmacophore.
| None CDPL.Pharm.BasicPharmacophore.append | ( | BasicPharmacophore | pharm | ) |
Extends the current set of features by a copy of the features in the pharmacophore pharm.
| pharm | The pharmacophore providing the features to append. |
| None CDPL.Pharm.BasicPharmacophore.append | ( | Pharmacophore | pharm | ) |
Extends the current set of features by a copy of the features in the pharmacophore pharm.
| pharm | The pharmacophore providing the features to append. |
Reimplemented from CDPL.Pharm.Pharmacophore.
| 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.
| cntnr | The feature container providing the features to append. |
Reimplemented from CDPL.Pharm.Pharmacophore.
| 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.
| pharm | The pharmacophore to copy. |
| 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.
| pharm | The pharmacophore to copy. |
Reimplemented from CDPL.Pharm.Pharmacophore.
| 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.
| cntnr | The feature container providing the features and properties to copy. |
Reimplemented from CDPL.Pharm.Pharmacophore.
| BasicPharmacophore CDPL.Pharm.BasicPharmacophore.__iadd__ | ( | BasicPharmacophore | pharm | ) |
Extends the current set of pharmacophore features by a copy of the features in the pharmacophore pharm.
Internally calls append() to perform the actual work.
| pharm | The pharmacophore providing the features to append. |
| BasicPharmacophore CDPL.Pharm.BasicPharmacophore.__iadd__ | ( | Pharmacophore | pharm | ) |
Extends the current set of pharmacophore features by a copy of the features in the pharmacophore pharm.
Internally calls append() to perform the actual work.
| pharm | The pharmacophore providing the features to append. |
Reimplemented from CDPL.Pharm.Pharmacophore.
| BasicPharmacophore CDPL.Pharm.BasicPharmacophore.__iadd__ | ( | FeatureContainer | cntnr | ) |
Extends the current set of pharmacophore features by a copy of the features in the feature container cntnr.
Internally calls append() to perform the actual work.
| cntnr | The feature container providing the features to append. |
Reimplemented from CDPL.Pharm.Pharmacophore.
1.9.1