Chemical Data Processing Library Python API - Version 1.1.1
|
Public Member Functions | |
None | __init__ () |
Constructs an empty FeatureSet instance. | |
None | __init__ (FeatureSet ftr_set) |
Constructs a copy of the FeatureSet instance ftr_set. More... | |
None | __init__ (FeatureContainer cntnr) |
Constructs a FeatureSet instance storing the features and properties of the feature container cntnr. More... | |
FeatureSet | assign (FeatureSet ftr_set) |
Replaces the current set of features and properties by the features and properties of the feature set ftr_set. More... | |
FeatureSet | assign (FeatureContainer cntnr) |
Replaces the current set of features and properties by the features and properties of the feature container cntnr. More... | |
bool | addFeature (Feature ftr) |
Extends the feature set by the specified feature. More... | |
None | removeFeature (int idx) |
Removes the feature at the specified index. More... | |
bool | removeFeature (Feature ftr) |
Removes the specified feature. More... | |
None | clear () |
Removes all features and properties. | |
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) |
bool | __delitem__ (Base.LookupKey key) |
int | __len__ () |
FeatureSet | __iadd__ (FeatureContainer cntnr) |
Performs the in-place addition operation self += cntnr . More... | |
FeatureSet | __isub__ (FeatureContainer cntnr) |
Performs the in-place subtraction operation self -= cntnr . More... | |
Public Member Functions inherited from CDPL.Pharm.FeatureContainer | |
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... | |
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) | |
None CDPL.Pharm.FeatureSet.__init__ | ( | FeatureSet | ftr_set | ) |
Constructs a copy of the FeatureSet
instance ftr_set.
ftr_set | The other FeatureSet instance to copy. |
None CDPL.Pharm.FeatureSet.__init__ | ( | FeatureContainer | cntnr | ) |
Constructs a FeatureSet
instance storing the features and properties of the feature container cntnr.
cntnr | The Pharm.FeatureContainer instance providing the features and properties to store. |
FeatureSet CDPL.Pharm.FeatureSet.assign | ( | FeatureSet | ftr_set | ) |
Replaces the current set of features and properties by the features and properties of the feature set ftr_set.
ftr_set | The feature set to copy. |
FeatureSet CDPL.Pharm.FeatureSet.assign | ( | FeatureContainer | cntnr | ) |
Replaces the current set of features and properties by the features and properties of the feature container cntnr.
cntnr | The Pharm.FeatureContainer instance providing the features and properties to copy. |
bool CDPL.Pharm.FeatureSet.addFeature | ( | Feature | ftr | ) |
Extends the feature set by the specified feature.
ftr | The feature to add. |
True
if the feature was not already a part of the feature set, and False
otherwise. None CDPL.Pharm.FeatureSet.removeFeature | ( | int | idx | ) |
Removes the feature at the specified index.
idx | The zero-based index of the feature to remove. |
Base.IndexError | if the number of features is zero or idx is not in the range [0, getNumFeatures() - 1]. |
bool CDPL.Pharm.FeatureSet.removeFeature | ( | Feature | ftr | ) |
Removes the specified feature.
ftr | The feature to remove. |
True
if the feature was part of the feature set and has been removed, and False
otherwise. Base.Any CDPL.Pharm.FeatureSet.__getitem__ | ( | Base.LookupKey | key | ) |
Feature CDPL.Pharm.FeatureSet.__getitem__ | ( | int | idx | ) |
bool CDPL.Pharm.FeatureSet.__contains__ | ( | Base.LookupKey | key | ) |
Returns the result of the membership test operation key in self
.
key | The value to test for membership. |
Reimplemented from CDPL.Pharm.FeatureContainer.
bool CDPL.Pharm.FeatureSet.__contains__ | ( | Feature | ftr | ) |
Returns the result of the membership test operation ftr in self
.
ftr | The value to test for membership. |
Reimplemented from CDPL.Pharm.FeatureContainer.
None CDPL.Pharm.FeatureSet.__setitem__ | ( | Base.LookupKey | key, |
Base.Any | value | ||
) |
key | |
value |
Reimplemented from CDPL.Pharm.FeatureContainer.
bool CDPL.Pharm.FeatureSet.__delitem__ | ( | Base.LookupKey | key | ) |
int CDPL.Pharm.FeatureSet.__len__ | ( | ) |
Reimplemented from CDPL.Pharm.FeatureContainer.
FeatureSet CDPL.Pharm.FeatureSet.__iadd__ | ( | FeatureContainer | cntnr | ) |
Performs the in-place addition operation self += cntnr
.
cntnr | Specifies the second addend. |
FeatureSet CDPL.Pharm.FeatureSet.__isub__ | ( | FeatureContainer | cntnr | ) |
Performs the in-place subtraction operation self -= cntnr
.
cntnr | Specifies the subtrahend. |