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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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Common interface for data structures that support a random access to stored Pharm.Feature instances. 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 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 a reference to the entity at index idx. More... | |
| int | getNumEntities () |
| Returns the number of entities. More... | |
| 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 value) |
| bool | __delitem__ (Base.LookupKey key) |
| 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) |
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) | |
Common interface for data structures that support a random access to stored Pharm.Feature instances.
Implementations have to guarantee that a given Pharm.Feature object is stored only once and its index is unique amongst all contained Pharm.Feature instances. Otherwise algorithms that rely on this behaviour may not work correctly!
| Feature CDPL.Pharm.FeatureContainer.getFeature | ( | int | idx | ) |
Returns a reference to the feature at index idx.
| idx | The zero-based index of the feature to return. |
| Base.IndexError | if idx is not in the range [0, getNumFeatures()). |
Reimplemented in CDPL.Pharm.Pharmacophore.
| bool CDPL.Pharm.FeatureContainer.containsFeature | ( | Feature | feature | ) |
Tells whether the specified feature is part of the feature set.
| feature | The feature to look for. |
True if feature is part of the set, and False otherwise. Reimplemented in CDPL.Pharm.Pharmacophore.
| int CDPL.Pharm.FeatureContainer.getFeatureIndex | ( | Feature | feature | ) |
Returns the index of the specified feature.
| feature | The feature for which to return the index. |
| Base.ItemNotFound | if the specified feature could not be found. |
Reimplemented in CDPL.Pharm.Pharmacophore.
| int CDPL.Pharm.FeatureContainer.getNumFeatures | ( | ) |
Returns the number of features.
Reimplemented in CDPL.Pharm.Pharmacophore.
| None CDPL.Pharm.FeatureContainer.orderFeatures | ( | BoolFeature2Functor | func | ) |
Orders the features according to criteria implemented by the provided feature comparison function.
| func | The feature comparison function implementing the applied ordering criteria. |
Reimplemented in CDPL.Pharm.Pharmacophore.
| Chem.Entity3D CDPL.Pharm.FeatureContainer.getEntity | ( | int | idx | ) |
Returns a reference to the entity at index idx.
Forwards to getFeature() and exists to satisfy the Chem.Entity3DContainer interface.
| idx | The zero-based entity index. |
| Base.IndexError | if idx is not in the range [0, getNumFeatures()). |
Reimplemented from CDPL.Chem.Entity3DContainer.
Reimplemented in CDPL.Pharm.Pharmacophore.
| int CDPL.Pharm.FeatureContainer.getNumEntities | ( | ) |
Returns the number of entities.
Forwards to getNumFeatures() and exists to satisfy the Chem.Entity3DContainer interface.
Reimplemented from CDPL.Chem.Entity3DContainer.
Reimplemented in CDPL.Pharm.Pharmacophore.
| bool CDPL.Pharm.FeatureContainer.__contains__ | ( | Base.LookupKey | key | ) |
Returns the result of the membership test operation key in self.
| key | The value to test for membership. |
Reimplemented in CDPL.Pharm.Pharmacophore, and CDPL.Pharm.FeatureSet.
| bool CDPL.Pharm.FeatureContainer.__contains__ | ( | Feature | feature | ) |
Returns the result of the membership test operation feature in self.
| feature | The value to test for membership. |
Reimplemented in CDPL.Pharm.Pharmacophore, and CDPL.Pharm.FeatureSet.
1.9.1