Chemical Data Processing Library C++ API - Version 1.1.1
Classes | Public Types | Public Member Functions | Protected Member Functions | List of all members
CDPL::Pharm::FeatureContainer Class Referenceabstract

FeatureContainer. More...

#include <FeatureContainer.hpp>

+ Inheritance diagram for CDPL::Pharm::FeatureContainer:

Public Types

typedef std::shared_ptr< FeatureContainerSharedPointer
 A reference-counted smart pointer [SHPTR] for dynamically allocated FeatureContainer instances. More...
 
typedef Util::IndexedElementIterator< const Feature, ConstFeatureAccessor > ConstFeatureIterator
 A constant random access iterator used to iterate over the stored const Pharm::Feature objects. More...
 
typedef Util::IndexedElementIterator< Feature, FeatureAccessor > FeatureIterator
 A mutable random access iterator used to iterate over the stored Pharm::Feature objects. More...
 
- Public Types inherited from CDPL::Chem::Entity3DContainer
typedef Util::IndexedElementIterator< const Entity3D, ConstEntityAccessor > ConstEntityIterator
 A constant random access iterator used to iterate over the stored const Chem::Entity3D objects. More...
 
typedef Util::IndexedElementIterator< Entity3D, EntityAccessor > EntityIterator
 A mutable random access iterator used to iterate over the stored Chem::Entity3D objects. More...
 
- Public Types inherited from CDPL::Base::PropertyContainer
typedef PropertyMap::value_type PropertyEntry
 A Base::LookupKey / Base::Any pair that stores the property value for a given property key. More...
 
typedef PropertyMap::const_iterator ConstPropertyIterator
 A constant iterator used to iterate over the property entries. More...
 

Public Member Functions

virtual ~FeatureContainer ()
 Virtual destructor. More...
 
virtual std::size_t getNumFeatures () const =0
 Returns the number of contained features. More...
 
virtual const FeaturegetFeature (std::size_t idx) const =0
 Returns a const reference to the feature at index idx. More...
 
virtual FeaturegetFeature (std::size_t idx)=0
 Returns a non-const reference to the pharmacophore feature at index idx. More...
 
virtual std::size_t getFeatureIndex (const Feature &feature) const =0
 Returns the index of the specified feature. More...
 
virtual bool containsFeature (const Feature &feature) const =0
 Tells whether the specified feature instance is stored in this pharmacophore. More...
 
ConstFeatureIterator getFeaturesBegin () const
 Returns a constant iterator pointing to the beginning of the stored const Pharm::Feature objects. More...
 
ConstFeatureIterator getFeaturesEnd () const
 Returns a constant iterator pointing to the end of the stored const Pharm::Feature objects. More...
 
FeatureIterator getFeaturesBegin ()
 Returns a mutable iterator pointing to the beginning of the stored Pharm::Feature objects. More...
 
FeatureIterator getFeaturesEnd ()
 Returns a mutable iterator pointing to the end of the stored Pharm::Feature objects. More...
 
ConstFeatureIterator begin () const
 Returns a constant iterator pointing to the beginning of the stored const Pharm::Feature objects. More...
 
ConstFeatureIterator end () const
 Returns a constant iterator pointing to the end of the stored const Pharm::Feature objects. More...
 
FeatureIterator begin ()
 Returns a mutable iterator pointing to the beginning of the stored Pharm::Feature objects. More...
 
FeatureIterator end ()
 Returns a mutable iterator pointing to the end of the stored Pharm::Feature objects. More...
 
virtual std::size_t getNumEntities () const
 Returns the number of stored Chem::Entity3D objects. More...
 
virtual const Chem::Entity3DgetEntity (std::size_t idx) const
 Returns a const reference to the Chem::Entity3D instance at index idx. More...
 
virtual Chem::Entity3DgetEntity (std::size_t idx)
 Returns a non-const reference to the entity at index idx. More...
 
- Public Member Functions inherited from CDPL::Chem::Entity3DContainer
ConstEntityIterator getEntitiesBegin () const
 Returns a constant iterator pointing to the beginning of the stored const Chem::Entity3D objects. More...
 
ConstEntityIterator getEntitiesEnd () const
 Returns a constant iterator pointing to the end of the stored const Chem::Entity3D objects. More...
 
EntityIterator getEntitiesBegin ()
 Returns a mutable iterator pointing to the beginning of the stored Chem::Entity3D objects. More...
 
EntityIterator getEntitiesEnd ()
 Returns a mutable iterator pointing to the end of the stored Chem::Entity3D objects. More...
 
ConstEntityIterator begin () const
 Returns a constant iterator pointing to the beginning of the stored const Chem::Entity3D objects. More...
 
ConstEntityIterator end () const
 Returns a constant iterator pointing to the end of the stored const Chem::Entity3D objects. More...
 
EntityIterator begin ()
 Returns a mutable iterator pointing to the beginning of the stored Chem::Entity3D objects. More...
 
EntityIterator end ()
 Returns a mutable iterator pointing to the end of the stored Chem::Entity3D objects. More...
 
const Entity3DContainergetEntities () const
 Returns a const reference to itself. More...
 
Entity3DContainergetEntities ()
 Returns a reference to itself. More...
 
- Public Member Functions inherited from CDPL::Base::PropertyContainer
std::size_t getNumProperties () const
 Returns the number of property entries. More...
 
template<typename T >
void setProperty (const LookupKey &key, T &&val)
 Sets the value of the property specified by key to val. More...
 
template<typename T >
const T & getProperty (const LookupKey &key) const
 Returns the value of the property specified by key as a const reference to an object of type T. More...
 
template<typename T >
const T & getPropertyOrDefault (const LookupKey &key, const T &def_val) const
 Returns the value of the property specified by key as a const reference to an object of type T, or the default value def_val if a stored value does not exist. More...
 
const AnygetProperty (const LookupKey &key, bool throw_=false) const
 Returns the value of the property specified by key. More...
 
bool isPropertySet (const LookupKey &key) const
 Tells whether or not a value has been assigned to the property specified by key. More...
 
ConstPropertyIterator getPropertiesBegin () const
 Returns a constant iterator pointing to the beginning of the property entries. More...
 
ConstPropertyIterator getPropertiesEnd () const
 Returns a constant iterator pointing to the end of the property entries. More...
 
ConstPropertyIterator begin () const
 Returns a constant iterator pointing to the beginning of the property entries. More...
 
ConstPropertyIterator end () const
 Returns a constant iterator pointing to the end of the property entries. More...
 
bool removeProperty (const LookupKey &key)
 Clears the value of the property specified by key. More...
 
void clearProperties ()
 Clears all property values. More...
 
void addProperties (const PropertyContainer &cntnr)
 Adds the property value entries in the PropertyContainer instance cntnr. More...
 
void copyProperties (const PropertyContainer &cntnr)
 Replaces the current set of properties by a copy of the entries in cntnr. More...
 
void swap (PropertyContainer &cntnr)
 Exchanges the properties of this container with the properties of the container cntnr. More...
 
const PropertyContainergetProperties () const
 Returns a const reference to itself. More...
 

Protected Member Functions

FeatureContaineroperator= (const FeatureContainer &cntnr)
 Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the container cntnr. More...
 
- Protected Member Functions inherited from CDPL::Chem::Entity3DContainer
virtual ~Entity3DContainer ()
 Virtual destructor. More...
 
Entity3DContaineroperator= (const Entity3DContainer &cntnr)
 Assignment operator. More...
 
- Protected Member Functions inherited from CDPL::Base::PropertyContainer
 PropertyContainer ()
 Constructs an empty PropertyContainer instance. More...
 
 PropertyContainer (const PropertyContainer &cntnr)
 Constructs a copy of the PropertyContainer instance cntnr. More...
 
virtual ~PropertyContainer ()
 Virtual destructor. More...
 
PropertyContaineroperator= (const PropertyContainer &cntnr)
 Assignment operator. More...
 

Detailed Description

FeatureContainer.

Member Typedef Documentation

◆ SharedPointer

A reference-counted smart pointer [SHPTR] for dynamically allocated FeatureContainer instances.

◆ ConstFeatureIterator

A constant random access iterator used to iterate over the stored const Pharm::Feature objects.

◆ FeatureIterator

A mutable random access iterator used to iterate over the stored Pharm::Feature objects.

Constructor & Destructor Documentation

◆ ~FeatureContainer()

virtual CDPL::Pharm::FeatureContainer::~FeatureContainer ( )
inlinevirtual

Virtual destructor.

Member Function Documentation

◆ getNumFeatures()

virtual std::size_t CDPL::Pharm::FeatureContainer::getNumFeatures ( ) const
pure virtual

Returns the number of contained features.

Returns
The number of features.

Implemented in CDPL::Pharm::Pharmacophore, CDPL::Pharm::FeatureSet, and CDPL::Pharm::BasicPharmacophore.

◆ getFeature() [1/2]

virtual const Feature& CDPL::Pharm::FeatureContainer::getFeature ( std::size_t  idx) const
pure virtual

Returns a const reference to the feature at index idx.

Parameters
idxThe zero-based index of the feature to return.
Returns
A const reference to the feature at the specified index.
Exceptions
Base::IndexErrorif the number of features is zero or idx is not in the range [0, getNumFeatures() - 1].

Implemented in CDPL::Pharm::Pharmacophore, CDPL::Pharm::FeatureSet, and CDPL::Pharm::BasicPharmacophore.

◆ getFeature() [2/2]

virtual Feature& CDPL::Pharm::FeatureContainer::getFeature ( std::size_t  idx)
pure virtual

Returns a non-const reference to the pharmacophore feature at index idx.

Parameters
idxThe zero-based index of the feature to return.
Returns
A non-const reference to the feature at the specified index.
Exceptions
Base::IndexErrorif the number of features is zero or idx is not in the range [0, getNumFeatures() - 1].

Implemented in CDPL::Pharm::Pharmacophore, CDPL::Pharm::FeatureSet, and CDPL::Pharm::BasicPharmacophore.

◆ getFeatureIndex()

virtual std::size_t CDPL::Pharm::FeatureContainer::getFeatureIndex ( const Feature feature) const
pure virtual

Returns the index of the specified feature.

Parameters
featureThe feature instance for which to return the index.
Returns
The zero-based index of the specified feature instance.
Exceptions
Base::ItemNotFoundif the specified feature instance could not be found.

Implemented in CDPL::Pharm::FeatureSet, CDPL::Pharm::Pharmacophore, and CDPL::Pharm::BasicPharmacophore.

◆ containsFeature()

virtual bool CDPL::Pharm::FeatureContainer::containsFeature ( const Feature feature) const
pure virtual

Tells whether the specified feature instance is stored in this pharmacophore.

Parameters
featureThe feature to look for.
Returns
true if feature is stored in the pharmacophore, and false otherwise.

Implemented in CDPL::Pharm::FeatureSet, CDPL::Pharm::Pharmacophore, and CDPL::Pharm::BasicPharmacophore.

◆ getFeaturesBegin() [1/2]

ConstFeatureIterator CDPL::Pharm::FeatureContainer::getFeaturesBegin ( ) const

Returns a constant iterator pointing to the beginning of the stored const Pharm::Feature objects.

Returns
A constant iterator pointing to the beginning of the stored const Pharm::Feature objects.

◆ getFeaturesEnd() [1/2]

ConstFeatureIterator CDPL::Pharm::FeatureContainer::getFeaturesEnd ( ) const

Returns a constant iterator pointing to the end of the stored const Pharm::Feature objects.

Returns
A constant iterator pointing to the end of the stored const Pharm::Feature objects.

◆ getFeaturesBegin() [2/2]

FeatureIterator CDPL::Pharm::FeatureContainer::getFeaturesBegin ( )

Returns a mutable iterator pointing to the beginning of the stored Pharm::Feature objects.

Returns
A mutable iterator pointing to the beginning of the stored Pharm::Feature objects.

◆ getFeaturesEnd() [2/2]

FeatureIterator CDPL::Pharm::FeatureContainer::getFeaturesEnd ( )

Returns a mutable iterator pointing to the end of the stored Pharm::Feature objects.

Returns
A mutable iterator pointing to the end of the stored Pharm::Feature objects.

◆ begin() [1/2]

ConstFeatureIterator CDPL::Pharm::FeatureContainer::begin ( ) const

Returns a constant iterator pointing to the beginning of the stored const Pharm::Feature objects.

Returns
A constant iterator pointing to the beginning of the stored const Pharm::Feature objects.

◆ end() [1/2]

ConstFeatureIterator CDPL::Pharm::FeatureContainer::end ( ) const

Returns a constant iterator pointing to the end of the stored const Pharm::Feature objects.

Returns
A constant iterator pointing to the end of the stored const Pharm::Feature objects.

◆ begin() [2/2]

FeatureIterator CDPL::Pharm::FeatureContainer::begin ( )

Returns a mutable iterator pointing to the beginning of the stored Pharm::Feature objects.

Returns
A mutable iterator pointing to the beginning of the stored Pharm::Feature objects.

◆ end() [2/2]

FeatureIterator CDPL::Pharm::FeatureContainer::end ( )

Returns a mutable iterator pointing to the end of the stored Pharm::Feature objects.

Returns
A mutable iterator pointing to the end of the stored Pharm::Feature objects.

◆ getNumEntities()

virtual std::size_t CDPL::Pharm::FeatureContainer::getNumEntities ( ) const
virtual

Returns the number of stored Chem::Entity3D objects.

Returns
The number of stored Chem::Entity3D objects.

Implements CDPL::Chem::Entity3DContainer.

◆ getEntity() [1/2]

virtual const Chem::Entity3D& CDPL::Pharm::FeatureContainer::getEntity ( std::size_t  idx) const
virtual

Returns a const reference to the Chem::Entity3D instance at index idx.

Parameters
idxThe zero-based index of the Chem::Entity3D instance to return.
Returns
A const reference to the Chem::Entity3D instance at the specified index.
Exceptions
Base::IndexErrorif the container is empty or idx is not in the range [0, getNumEntities() - 1].

Implements CDPL::Chem::Entity3DContainer.

◆ getEntity() [2/2]

virtual Chem::Entity3D& CDPL::Pharm::FeatureContainer::getEntity ( std::size_t  idx)
virtual

Returns a non-const reference to the entity at index idx.

Parameters
idxThe zero-based index of the Chem::Entity3D instance to return.
Returns
A non-const reference to the entity at the specified index.
Exceptions
Base::IndexErrorif the number of entities is zero or idx is not in the range [0, getNumEntities() - 1].

Implements CDPL::Chem::Entity3DContainer.

◆ operator=()

FeatureContainer& CDPL::Pharm::FeatureContainer::operator= ( const FeatureContainer cntnr)
protected

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

Parameters
cntnrThe container to copy.
Returns
A reference to itself.

The documentation for this class was generated from the following file: