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BALL::Protein Class Reference

#include <BALL/KERNEL/protein.h>

Inheritance diagram for BALL::Protein:
BALL::Molecule BALL::AtomContainer BALL::Composite BALL::PropertyManager BALL::PersistentObject BALL::Selectable BALL::Object BALL::AutoDeletable

Public Types

Enums
enum  Property { NUMBER_OF_PROPERTIES = Molecule::NUMBER_OF_PROPERTIES }
 
- Public Types inherited from BALL::Molecule
enum  Property { IS_SOLVENT = AtomContainer::NUMBER_OF_PROPERTIES, NUMBER_OF_PROPERTIES }
 
- Public Types inherited from BALL::AtomContainer
enum  Property { NUMBER_OF_PROPERTIES = 0 }
 The number of predefined properties for AtomContainer. More...
 
- Public Types inherited from BALL::Composite
typedef ForwardIterator
< Composite, Composite,
Composite
*, AncestorIteratorTraits
AncestorIterator
 
typedef ConstForwardIterator
< Composite, Composite,
Composite
*, AncestorIteratorTraits
AncestorConstIterator
 
typedef BidirectionalIterator
< Composite, Composite,
Composite
*, ChildCompositeIteratorTraits
ChildCompositeIterator
 
typedef
ConstBidirectionalIterator
< Composite, Composite,
Composite
*, ChildCompositeIteratorTraits
ChildCompositeConstIterator
 
typedef std::reverse_iterator
< ChildCompositeIterator
ChildCompositeReverseIterator
 
typedef std::reverse_iterator
< ChildCompositeConstIterator
ChildCompositeConstReverseIterator
 
typedef BidirectionalIterator
< Composite, Composite,
Composite
*, CompositeIteratorTraits
CompositeIterator
 
typedef
ConstBidirectionalIterator
< Composite, Composite,
Composite
*, CompositeIteratorTraits
CompositeConstIterator
 
typedef std::reverse_iterator
< CompositeIterator
CompositeReverseIterator
 
typedef std::reverse_iterator
< CompositeConstIterator
CompositeConstReverseIterator
 
enum  StampType { MODIFICATION = 1, SELECTION = 2, BOTH = 3 }
 
typedef UnaryPredicate< CompositeKernelPredicateType
 

Public Member Functions

bool operator== (const Protein &protein) const
 
bool operator!= (const Protein &protein) const
 
Constructors and Destructors
 Protein ()
 Default constructor. More...
 
 Protein (const Protein &protein, bool deep=true)
 Copy constructor. More...
 
 Protein (const String &name, const String &id=BALL_PROTEIN_DEFAULT_ID)
 Detailled constructor. More...
 
virtual ~Protein ()
 Destructor. More...
 
virtual void clear ()
 Clears the contents of the protein. More...
 
virtual void destroy ()
 
Persistence
void persistentWrite (PersistenceManager &pm, const char *name=0) const
 
void persistentRead (PersistenceManager &pm)
 
Assignment Methods
void set (const Protein &protein, bool deep=true)
 
Proteinoperator= (const Protein &protein)
 
void get (Protein &protein, bool deep=true) const
 
void swap (Protein &protein)
 
Accessors
ChaingetChain (Position position)
 
const ChaingetChain (Position position) const
 
SecondaryStructuregetSecondaryStructure (Position position)
 
const SecondaryStructuregetSecondaryStructure (Position position) const
 
ResiduegetResidue (Position position)
 
const ResiduegetResidue (Position position) const
 
ResiduegetResidueByID (String residue_ID)
 
const ResiduegetResidueByID (String residue_ID) const
 
ResiduegetNTerminal ()
 
const ResiduegetNTerminal () const
 
ResiduegetCTerminal ()
 
const ResiduegetCTerminal () const
 
PDBAtomgetPDBAtom (Position position)
 
const PDBAtomgetPDBAtom (Position position) const
 
void setID (const String &id)
 
const StringgetID () const
 
Size countChains () const
 
Size countSecondaryStructures () const
 
Size countResidues () const
 
Size countPDBAtoms () const
 
Debugging and Diagnostics
virtual bool isValid () const
 
virtual void dump (std::ostream &s=std::cout, Size depth=0) const
 
- Public Member Functions inherited from BALL::Molecule
bool operator== (const Molecule &molecule) const
 
bool operator!= (const Molecule &molecule) const
 
 Molecule ()
 
 Molecule (const Molecule &molecule, bool deep=true)
 
 Molecule (const String &name)
 
virtual ~Molecule ()
 
void set (const Molecule &molecule, bool deep=true)
 
Moleculeoperator= (const Molecule &molecule)
 
void get (Molecule &molecule, bool deep=true) const
 
void swap (Molecule &molecule)
 
SystemgetSystem ()
 
const SystemgetSystem () const
 
void prepend (Atom &atom)
 
void append (Atom &atom)
 
void insert (Atom &atom)
 
void insertBefore (Atom &atom, Composite &before)
 
void insertAfter (Atom &atom, Composite &after)
 
bool remove (Atom &atom)
 
void prepend (AtomContainer &atom_container)
 
void append (AtomContainer &atom_container)
 
void insert (AtomContainer &atom_container)
 
void insertBefore (AtomContainer &atom_container, Composite &before)
 
void insertAfter (AtomContainer &atom_container, Composite &after)
 
void spliceBefore (AtomContainer &atom_container)
 
void spliceAfter (AtomContainer &atom_container)
 
void splice (AtomContainer &atom_container)
 
bool remove (AtomContainer &atom_container)
 
- Public Member Functions inherited from BALL::AtomContainer
 AtomContainer ()
 
 AtomContainer (const AtomContainer &atom_container, bool deep=true)
 
 AtomContainer (const String &name)
 
virtual ~AtomContainer ()
 
void set (const AtomContainer &atom_container, bool deep=true)
 
AtomContaineroperator= (const AtomContainer &atom_container)
 
void get (AtomContainer &atom_container, bool deep=true) const
 
void swap (AtomContainer &atom_container)
 
bool operator== (const AtomContainer &atom_container) const
 
bool operator!= (const AtomContainer &atom_container) const
 
bool isSubAtomContainerOf (const AtomContainer &atom_container) const
 
bool isSuperAtomContainerOf (const AtomContainer &atom_container) const
 
void setName (const String &name)
 
const StringgetName () const
 
AtomContainergetSuperAtomContainer ()
 
const AtomContainergetSuperAtomContainer () const
 
AtomContainergetAtomContainer (Position position)
 
const AtomContainergetAtomContainer (Position position) const
 
AtomgetAtom (Position position)
 
const AtomgetAtom (Position position) const
 
AtomgetAtom (const String &name)
 
const AtomgetAtom (const String &name) const
 
Size countAtomContainers () const
 
Size countAtoms () const
 
Size countBonds () const
 
Size countInterBonds () const
 
Size countIntraBonds () const
 
void prepend (Atom &atom)
 
void append (Atom &atom)
 
void insert (Atom &atom)
 
void insertBefore (Atom &atom, Composite &before)
 
void insertAfter (Atom &atom, Composite &after)
 
bool remove (Atom &atom)
 
Size removeHavingProperty (BALL::Property p)
 
Size removeNotHavingProperty (BALL::Property p)
 
Size removeHavingProperty (const string &name)
 
Size removeNotHavingProperty (const string &name)
 
void prepend (AtomContainer &atom_container)
 
void append (AtomContainer &atom_container)
 
void insert (AtomContainer &atom_container)
 
void insertBefore (AtomContainer &atom_container, Composite &before)
 
void insertAfter (AtomContainer &atom_container, Composite &after)
 
void spliceBefore (AtomContainer &atom_container)
 
void spliceAfter (AtomContainer &atom_container)
 
void splice (AtomContainer &atom_container)
 
bool remove (AtomContainer &atom_container)
 
void destroyBonds ()
 
bool applyIntraBond (UnaryProcessor< Bond > &processor)
 Apply to all bonds connecting two atoms inside this AtomContainer. More...
 
bool applyInterBond (UnaryProcessor< Bond > &processor)
 Apply to all bonds connected to atoms outside this AtomContainer. More...
 
- Public Member Functions inherited from BALL::Composite
AncestorIterator beginAncestor ()
 
AncestorIterator endAncestor ()
 
AncestorConstIterator beginAncestor () const
 
AncestorConstIterator endAncestor () const
 
ChildCompositeIterator beginChildComposite ()
 
ChildCompositeIterator endChildComposite ()
 
ChildCompositeConstIterator beginChildComposite () const
 
ChildCompositeConstIterator endChildComposite () const
 
ChildCompositeReverseIterator rbeginChildComposite ()
 
ChildCompositeReverseIterator rendChildComposite ()
 
ChildCompositeConstReverseIterator rbeginChildComposite () const
 
ChildCompositeConstReverseIterator rendChildComposite () const
 
CompositeIterator beginComposite ()
 
CompositeIterator endComposite ()
 
CompositeConstIterator beginComposite () const
 
CompositeConstIterator endComposite () const
 
CompositeReverseIterator rbeginComposite ()
 
CompositeReverseIterator rendComposite ()
 
CompositeConstReverseIterator rbeginComposite () const
 
CompositeConstReverseIterator rendComposite () const
 
void deleteChildrenList_ (std::list< Composite * > &composites)
 
template<typename T >
BALL_INLINE bool apply (UnaryProcessor< T > &processor)
 
template<typename T >
BALL_INLINE T * getAncestor (const T &)
 
template<typename T >
BALL_INLINE const T * getAncestor (const T &) const
 
template<typename T >
BALL_INLINE T * getPrevious (const T &)
 
template<typename T >
BALL_INLINE const T * getPrevious (const T &dummy) const
 
template<typename T >
BALL_INLINE T * getNext (const T &)
 
template<typename T >
BALL_INLINE const T * getNext (const T &dummy) const
 
template<typename T >
BALL_INLINE bool hasAncestor (const T &dummy) const
 
 Composite ()
 
 Composite (const Composite &composite, bool deep=true)
 
virtual ~Composite ()
 
void destroy (bool virtual_destroy)
 
void * clone (Composite &root) const
 
bool operator== (const Composite &composite) const
 
bool operator!= (const Composite &composite) const
 
bool isEmpty () const
 
bool isRoot () const
 
bool isRootOf (const Composite &composite) const
 
bool isInterior () const
 
bool hasChild () const
 
bool isChildOf (const Composite &composite) const
 
bool isFirstChild () const
 
bool isFirstChildOf (const Composite &composite) const
 
bool isLastChild () const
 
bool isLastChildOf (const Composite &composite) const
 
bool hasParent () const
 
bool isParentOf (const Composite &composite) const
 
bool hasSibling () const
 
bool isSiblingOf (const Composite &composite) const
 
bool hasPreviousSibling () const
 
bool isPreviousSiblingOf (const Composite &composite) const
 
bool hasNextSibling () const
 
bool isNextSiblingOf (const Composite &composite) const
 
bool isDescendantOf (const Composite &composite) const
 
template<typename T >
bool hasAncestor (const T &dummy) const
 
bool isAncestorOf (const Composite &composite) const
 
bool isRelatedWith (const Composite &composite) const
 
bool isHomomorph (const Composite &composite) const
 
bool containsSelection () const
 
void host (Visitor< Composite > &visitor)
 
template<typename T >
bool applyAncestor (UnaryProcessor< T > &processor)
 
template<typename T >
bool applyChild (UnaryProcessor< T > &processor)
 
template<typename T >
bool applyDescendantPreorder (UnaryProcessor< T > &processor)
 
template<typename T >
bool applyDescendantPostorder (UnaryProcessor< T > &processor)
 
template<typename T >
bool applyDescendant (UnaryProcessor< T > &processor)
 
template<typename T >
bool applyPreorder (UnaryProcessor< T > &processor)
 
template<typename T >
bool applyPostorder (UnaryProcessor< T > &processor)
 
template<typename T >
bool apply (UnaryProcessor< T > &processor)
 
template<typename T >
bool applyLevel (UnaryProcessor< T > &processor, long level)
 
void set (const Composite &composite, bool deep=true)
 
Compositeoperator= (const Composite &composite)
 
void get (Composite &composite, bool deep=true) const
 
Size getDegree () const
 
Size count (const KernelPredicateType &predicate) const
 
Size countDescendants () const
 
Size getPathLength (const Composite &composite) const
 
Size getDepth () const
 
Size getHeight () const
 
CompositegetRoot ()
 
const CompositegetRoot () const
 
CompositegetLowestCommonAncestor (const Composite &composite)
 
const CompositegetLowestCommonAncestor (const Composite &composite) const
 
template<typename T >
T * getAncestor (const T &)
 
template<typename T >
const T * getAncestor (const T &) const
 
template<typename T >
T * getPrevious (const T &)
 
template<typename T >
const T * getPrevious (const T &dummy) const
 
template<typename T >
T * getNext (const T &)
 
template<typename T >
const T * getNext (const T &dummy) const
 
CompositegetParent ()
 
const CompositegetParent () const
 
CompositegetChild (Index index)
 
const CompositegetChild (Index index) const
 
CompositegetSibling (Index index)
 
const CompositegetSibling (Index index) const
 
CompositegetFirstChild ()
 
const CompositegetFirstChild () const
 
CompositegetLastChild ()
 
const CompositegetLastChild () const
 
const PreciseTimegetModificationTime () const
 
const PreciseTimegetSelectionTime () const
 
void stamp (StampType stamp=BOTH)
 
void prependChild (Composite &composite)
 
void appendChild (Composite &composite)
 
void insertBefore (Composite &composite)
 
void insertAfter (Composite &composite)
 
void spliceBefore (Composite &composite)
 
void spliceAfter (Composite &composite)
 
void splice (Composite &composite)
 
bool removeChild (Composite &child)
 
Size removeSelected ()
 
Size removeUnselected ()
 
void replace (Composite &composite)
 
void swap (Composite &composite)
 
virtual void select ()
 
virtual void deselect ()
 
- Public Member Functions inherited from BALL::PersistentObject
 PersistentObject ()
 
virtual ~PersistentObject ()
 
PersistenceManageroperator>> (PersistenceManager &pm) const
 
virtual void finalize ()
 
- Public Member Functions inherited from BALL::Object
 Object ()
 Default constructor. More...
 
 Object (const Object &object)
 Copy constructor. More...
 
virtual ~Object ()
 Destructor. More...
 
const Objectoperator= (const Object &)
 
bool operator== (const Object &object) const
 
bool operator!= (const Object &object) const
 
bool operator< (const Object &object) const
 
bool operator<= (const Object &object) const
 
bool operator>= (const Object &object) const
 
bool operator> (const Object &object) const
 
int compare (const Object &object) const
 
virtual void dump (::std::ostream &s=std::cout, Size depth=0) const
 
Handle getHandle () const
 
- Public Member Functions inherited from BALL::AutoDeletable
virtual ~AutoDeletable ()
 
void * operator new (size_t size)
 
void operator delete (void *ptr)
 
void * operator new (size_t size, void *ptr)
 
void operator delete (void *ptr, void *)
 
bool isAutoDeletable () const
 
void setAutoDeletable (bool enable)
 
- Public Member Functions inherited from BALL::Selectable
 Selectable ()
 
 Selectable (const Selectable &selectable, bool deep=true)
 
virtual ~Selectable ()
 
void set (const Selectable &selectable, bool deep=true)
 
const Selectableoperator= (const Selectable &selectable)
 
void get (Selectable &selectable, bool deep=true) const
 
void swap (Selectable &selectable)
 
virtual void setSelected (bool selected)
 
bool isSelected () const
 
bool operator== (const Selectable &selectable) const
 
bool operator!= (const Selectable &selectable) const
 
void write (PersistenceManager &pm) const
 
bool read (PersistenceManager &pm)
 
virtual void dump (::std::ostream &s=std::cout, Size depth=0) const
 
- Public Member Functions inherited from BALL::PropertyManager
BALL_INLINE PropertyManager ()
 Default constructor. More...
 
BALL_INLINE PropertyManager (const PropertyManager &property_manager)
 Copy constructor. More...
 
virtual ~PropertyManager ()
 Destructor. More...
 
void set (const PropertyManager &property_manager)
 
const PropertyManageroperator= (const PropertyManager &property_manager)
 
void get (PropertyManager &property_manager) const
 
void swap (PropertyManager &property_manager)
 
BitVectorgetBitVector ()
 
const BitVectorgetBitVector () const
 
 operator BitVector & ()
 
void setProperty (Property property)
 
void clearProperty (Property property)
 
void toggleProperty (Property property)
 
Size countProperties () const
 
const NamedPropertygetNamedProperty (Position index) const
 
NamedPropertygetNamedProperty (Position index)
 
void setProperty (const NamedProperty &property)
 
void setProperty (const string &name)
 
void setProperty (const string &name, bool value)
 
void setProperty (const string &name, int value)
 
void setProperty (const string &name, unsigned int value)
 
void setProperty (const string &name, float value)
 
void setProperty (const string &name, double value)
 
void setProperty (const string &name, const string &value)
 
void setProperty (const string &name, const PersistentObject &value)
 
const NamedPropertygetProperty (const string &name) const
 
NamedPropertyIterator beginNamedProperty ()
 
NamedPropertyIterator endNamedProperty ()
 
void clearProperty (const string &name)
 
Size countNamedProperties () const
 
bool hasProperty (Property property) const
 Query for an unnamed property. More...
 
bool hasProperty (const string &name) const
 Query for a named property. More...
 
bool operator== (const PropertyManager &pm) const
 
bool operator!= (const PropertyManager &pm) const
 Inequality operator. More...
 
void write (PersistenceManager &pm) const
 Persistent stream writing. More...
 
bool read (PersistenceManager &pm)
 Persistent stream reading. More...
 
bool isValid () const
 
void dump (std::ostream &s=std::cout, Size depth=0) const
 

Private Attributes

String id_
 

Additional Inherited Members

- Static Public Member Functions inherited from BALL::Composite
static bool insertParent (Composite &parent, Composite &first, Composite &last, bool destroy_parent=true)
 
- Static Public Member Functions inherited from BALL::Object
static Handle getNextHandle ()
 
static Handle getNewHandle ()
 
- Static Public Member Functions inherited from BALL::AutoDeletable
static void clearLastPtr ()
 
- Static Public Attributes inherited from BALL::Composite
static UnaryProcessor< CompositeDEFAULT_PROCESSOR
 
static KernelPredicateType DEFAULT_UNARY_PREDICATE
 
- Protected Member Functions inherited from BALL::Molecule
MoleculegetMolecule ()
 
const MoleculegetMolecule () const
 
AtomContainergetSuperAtomContainer ()
 
const AtomContainergetSuperAtomContainer () const
 
void prepend (Molecule &molecule)
 
void append (Molecule &molecule)
 
void insert (Molecule &molecule)
 
void insertBefore (Molecule &molecule, Composite &composite)
 
void insertAfter (Molecule &molecule, Composite &composite)
 
bool remove (Molecule &molecule)
 
bool isSubAtomContainerOf (const AtomContainer &atom_container) const
 
- Protected Attributes inherited from BALL::Selectable
bool selected_
 

Detailed Description

Protein Class. This class is used to represent proteins. A protein may contain several Chain , SecondaryStructure , and Residue .

Definition at line 28 of file protein.h.

Member Enumeration Documentation

Enumerator
NUMBER_OF_PROPERTIES 

Definition at line 41 of file protein.h.

Constructor & Destructor Documentation

BALL::Protein::Protein ( )

Default constructor.

BALL::Protein::Protein ( const Protein protein,
bool  deep = true 
)

Copy constructor.

BALL::Protein::Protein ( const String name,
const String id = BALL_PROTEIN_DEFAULT_ID 
)

Detailled constructor.

virtual BALL::Protein::~Protein ( )
virtual

Destructor.

Member Function Documentation

virtual void BALL::Protein::clear ( )
virtual

Clears the contents of the protein.

Reimplemented from BALL::AtomContainer.

Size BALL::Protein::countChains ( ) const

Count the child chains.

Returns
Size the number of chains
Size BALL::Protein::countPDBAtoms ( ) const

Count the child PDB-Atoms.

Returns
Size the number of PDB-Atoms
Size BALL::Protein::countResidues ( ) const

Count the child Residues.

Returns
Size the number of Residues
Size BALL::Protein::countSecondaryStructures ( ) const

Count the child SecondaryStructures.

Returns
Size the number of SecondaryStructures
virtual void BALL::Protein::destroy ( )
virtual

Clear the contents of this instance of AtomContainer and removes it from parent composite structures. This methods clears the base fragment's name, destroys all its children (as in Composite::destroy ), and removes it from its parent composite structures.

Reimplemented from BALL::AtomContainer.

virtual void BALL::Protein::dump ( std::ostream &  s = std::cout,
Size  depth = 0 
) const
virtual

Internal state dump. Dump the current internal state to the output ostream s with dumping depth depth .

Parameters
soutput stream where to output the internal state
depththe dumping depth

Reimplemented from BALL::Molecule.

void BALL::Protein::get ( Protein protein,
bool  deep = true 
) const

Copy this instance to protein . The assignment is either deep or shallow (default).

Parameters
proteinthe Protein to be assigned to
Chain* BALL::Protein::getChain ( Position  position)

Get a pointer to a child chain at a given position. The pointer is 0 if this instance does not have a chain at the given position.

Parameters
positionthe position of the child chain
Returns
Chain* - mutable pointer to the child
const Chain* BALL::Protein::getChain ( Position  position) const

Get a pointer to a child chain at a given position. The pointer is 0 if this instance does not have a chain at the given position.

Parameters
positionthe position of the child chain
Returns
Chain* - constant pointer to the child
Residue* BALL::Protein::getCTerminal ( )

Get a pointer to the C-terminal Residue. The pointer is 0 if this instance does not have a Residue with the property "PROPERTY__AMINO_ACID".

Returns
Residue* - mutable pointer to the C-terminal Residue
const Residue* BALL::Protein::getCTerminal ( ) const

Get a pointer to the C-terminal Residue. The pointer is 0 if this instance does not have a Residue with the property "PROPERTY__AMINO_ACID".

Returns
Residue* - constant pointer to the C-terminal Residue
const String& BALL::Protein::getID ( ) const

Retrieve the ID of the NucleicAcid.

Returns
String the ID
Residue* BALL::Protein::getNTerminal ( )

Get a pointer to the N-terminal Residue. The pointer is 0 if this instance does not have a Residue with the property "PROPERTY__AMINO_ACID".

Returns
Residue* - mutable pointer to the N-terminal Residue
const Residue* BALL::Protein::getNTerminal ( ) const

Get a pointer to the N-terminal Residue. The pointer is 0 if this instance does not have a Residue with the property "PROPERTY__AMINO_ACID".

Returns
Residue* - constant pointer to the N-terminal Residue
PDBAtom* BALL::Protein::getPDBAtom ( Position  position)

Get a pointer to a child PDB-Atom at a given position. The pointer is 0 if this instance does not have a PDB-Atom at the given position.

Parameters
positionthe position of the child PDB-Atom
Returns
Residue* - mutable pointer to the child
const PDBAtom* BALL::Protein::getPDBAtom ( Position  position) const

Get a pointer to a child PDB-Atom at a given position. The pointer is 0 if this instance does not have a PDB-Atom at the given position.

Parameters
positionthe position of the child PDB-Atom
Returns
Residue* - constant pointer to the child
Residue* BALL::Protein::getResidue ( Position  position)

Get a pointer to a child Residue at a given position. The pointer is 0 if this instance does not have a Residue at the given position.

Parameters
positionthe position of the child Residue
Returns
Residue* - mutable pointer to the child
const Residue* BALL::Protein::getResidue ( Position  position) const

Get a pointer to a child Residue at a given position. The pointer is 0 if this instance does not have a Residue at the given position.

Parameters
positionthe position of the child Residue
Returns
Residue* - constant pointer to the child
Residue* BALL::Protein::getResidueByID ( String  residue_ID)
Get a pointer to a child Residue with the given ID.

The pointer is 0 if this instance does not have a Residue with the given ID.

Parameters
residue_IDthe ID of the residue
Returns
Residue* - pointer to the child
const Residue* BALL::Protein::getResidueByID ( String  residue_ID) const
Get a pointer to a child Residue with the given ID.

The pointer is 0 if this instance does not have a Residue with the given ID.

Parameters
residue_IDthe ID of the residue
Returns
Residue* - constant pointer to the child
SecondaryStructure* BALL::Protein::getSecondaryStructure ( Position  position)

Get a pointer to a child SecondaryStructure at a given position. The pointer is 0 if this instance does not have a SecondaryStructure at the given position.

Parameters
positionthe position of the child SecondaryStructure
Returns
SecondaryStructure* - mutable pointer to the child
const SecondaryStructure* BALL::Protein::getSecondaryStructure ( Position  position) const

Get a pointer to a child SecondaryStructure at a given position. The pointer is 0 if this instance does not have a SecondaryStructure at the given position.

Parameters
positionthe position of the child SecondaryStructure
Returns
SecondaryStructure* - constant pointer to the child
virtual bool BALL::Protein::isValid ( ) const
virtual

Internal state and consistency self-validation.

Returns
bool -true if the internal state of this instance is correct (self-validated) and consistent, false otherwise

Reimplemented from BALL::AtomContainer.

bool BALL::Protein::operator!= ( const Protein protein) const

Inequality operator

See Also
operator ==
Protein& BALL::Protein::operator= ( const Protein protein)

Assignment operator.

Parameters
proteinthe Protein to be copied (cloned)
Returns
Protein& - this instance
bool BALL::Protein::operator== ( const Protein protein) const

Equality operator. Two proteins are equal if they have the same handle.

See Also
Object::operator ==.
void BALL::Protein::persistentRead ( PersistenceManager pm)
virtual

Reads a Protein object from a persistent stream.

Parameters
pmthe persistence manager

Reimplemented from BALL::Molecule.

void BALL::Protein::persistentWrite ( PersistenceManager pm,
const char *  name = 0 
) const
virtual

Writes a Protein object to a persistent stream.

Parameters
pmthe persistence manager

Reimplemented from BALL::Molecule.

void BALL::Protein::set ( const Protein protein,
bool  deep = true 
)

Assignment with cloning facility. The assignment is either deep or shallow (default).

Parameters
proteinthe Protein to be copied (cloned)
deepmake a deep (=true) or shallow (=false) copy
void BALL::Protein::setID ( const String id)

Set the ID of the NucleicAcid.

Parameters
idthe new ID
void BALL::Protein::swap ( Protein protein)

Swapping of two proteins.

Parameters
proteinto swap with this instance

Member Data Documentation

String BALL::Protein::id_
private

Definition at line 303 of file protein.h.