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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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Default implementation of the Pharm.Pharmacophore interface. 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 and properties provided by the feature container cntnr. More... | |
| None | copy (BasicPharmacophore pharm) |
| Replaces the current set of 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 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 features by a copy of the features and properties of the pharmacophore pharm. More... | |
| BasicPharmacophore | assign (Pharmacophore pharm) |
| Replaces the current set of features 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 features by a copy of the features in the pharmacophore pharm. More... | |
| BasicPharmacophore | __iadd__ (Pharmacophore pharm) |
| Extends the current set of 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 deep copy of the current pharmacophore state. More... | |
| Feature | getFeature (int idx) |
| Returns the feature at index idx. More... | |
| bool | containsFeature (Feature feature) |
| Tells whether the specified feature is part of the feature set. More... | |
| int | getFeatureIndex (Feature feature) |
| Returns the index of the specified feature. More... | |
| int | getNumFeatures () |
| Returns the number of features. More... | |
| None | orderFeatures (BoolFeature2Functor func) |
| Orders the features according to criteria implemented by the provided feature comparison function. More... | |
| Chem.Entity3D | getEntity (int idx) |
| Returns the entity at index idx. More... | |
| int | getNumEntities () |
| Returns the number of entities. More... | |
| 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 feature) |
Returns the result of the membership test operation feature in self. More... | |
| None | __setitem__ (Base.LookupKey key, Base.Any val) |
| int | __len__ () |
| Returns the number of property entries. 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_val) |
| Returns the value of the property specified by key , or the default value def_val if an entry does not exist. More... | |
| list | getPropertyKeys () |
| Returns a list containing the keys of the current property entries. More... | |
| list | getPropertyValues () |
| Returns a list containing the values of the current property entries. More... | |
| list | getProperties () |
| Returns a reference to itself. More... | |
| None | setProperty (LookupKey key, Any val) |
| Sets the value of the property specified by key to val. More... | |
| bool | removeProperty (LookupKey key) |
| Removes the entry for 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 () |
| Erases all container entries. | |
| None | addProperties (PropertyContainer cntnr) |
Adds the property entries of the PropertyContainer instance cntnr. More... | |
| None | copyProperties (PropertyContainer cntnr) |
| Replaces the current property entries by a copy of the entries in cntnr. More... | |
| None | swap (PropertyContainer cntnr) |
| Exchanges the property entries of this container with the ones of cntnr. More... | |
| Any | __getitem__ (LookupKey key) |
| Returns the value of the property specified by key. More... | |
| bool | __contains__ (LookupKey key) |
| Tells whether or not a value has been assigned to the property specified by key. More... | |
| None | __setitem__ (LookupKey key, Any val) |
| Sets the value of the property specified by key to val. More... | |
| bool | __delitem__ (LookupKey key) |
| Removes the entry for the property specified by key. More... | |
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) | |
Default implementation of the Pharm.Pharmacophore interface.
BasicPharmacophore implements the full editing interface inherited from Pharm.Pharmacophore and is the standard concrete type used for the creation, manipulation and processing of pharmacophore data throughout the CDPL.x
| None CDPL.Pharm.BasicPharmacophore.__init__ | ( | BasicPharmacophore | pharm | ) |
Constructs a BasicPharmacophore instance that is a copy of the pharmacophore pharm.
| pharm | The other pharmacophore 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 to copy. |
| None CDPL.Pharm.BasicPharmacophore.__init__ | ( | FeatureContainer | cntnr | ) |
Constructs a BasicPharmacophore instance with copies of the features and properties provided by the feature container cntnr.
| cntnr | The feature container providing the features and properties to copy. |
| None CDPL.Pharm.BasicPharmacophore.copy | ( | BasicPharmacophore | pharm | ) |
Replaces the current set of 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 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 features 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 features 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 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 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