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5 #ifndef BALL_KERNEL_CHAIN_H
6 #define BALL_KERNEL_CHAIN_H
8 #ifndef BALL_KERNEL_RESIDUE_H
12 #ifndef BALL_KERNEL_SECONDARYSTRUCTUREITERATOR_H
17 #define BALL_CHAIN_DEFAULT_NAME ' '
90 void set(
const Chain& chain,
bool deep =
true);
312 virtual bool isChain()
const {
return true; }
326 virtual void dump(std::ostream& s = std::cout,
Size depth = 0)
const
352 void prepend(
Atom& atom);
354 void append(
Atom& atom);
356 void insert(
Atom& atom);
362 bool remove(
Atom& atom);
387 #endif // BALL_KERNEL_CHAIN_H
Residue * getResidue(Position position)
virtual void dump(std::ostream &s=std::cout, Size depth=0) const
void set(const Chain &chain, bool deep=true)
const Residue * getCTerminal() const
BALL_EXPORT bool operator!=(const String &s1, const String &s2)
SecondaryStructure * getSecondaryStructure(Position position)
void persistentRead(PersistenceManager &pm)
Chain(const Chain &chain, bool deep=true)
Copy constructor.
void get(Chain &chain, bool deep=true) const
#define BALL_DECLARE_STD_ITERATOR_WRAPPER(container, type, method_name)
#define BALL_KERNEL_DEFINE_ITERATOR_CREATORS(Type)
const PDBAtom * getPDBAtom(Position position) const
#define BALL_CREATE_DEEP(name)
const Residue * getNTerminal() const
Chain(const String &name)
Detailled constructor.
BALL_EXPORT ResidueList residues(const AtomContainer &fragment, bool selected_only=false)
void spliceAfter(Chain &chain)
void prepend(SecondaryStructure &secondary_structure)
void spliceBefore(Chain &chain)
Size countResidues() const
Chain()
Default constrcutor.
void prepend(Residue &residue)
void insertAfter(SecondaryStructure &secondary_structure, Composite &after)
Size countSecondaryStructures() const
void insert(SecondaryStructure &secondary_structure)
BALL_EXPORT SecondaryStructureList secondaryStructures(const AtomContainer &fragment, bool selected_only=false)
void persistentWrite(PersistenceManager &pm, const char *name=0) const
BALL_EXPORT AtomContainerList atomContainers(const AtomContainer &fragment, bool selected_only=false)
void insertBefore(Residue &residue, Composite &before)
bool remove(SecondaryStructure &secondary_structure)
void append(SecondaryStructure &secondary_structure)
bool remove(Residue &residue)
void insertAfter(Residue &residue, Composite &after)
BALL_EXPORT bool operator==(const String &s1, const String &s2)
const Residue * getResidue(Position position) const
const SecondaryStructure * getSecondaryStructure(Position position) const
void insert(Residue &residue)
Size countPDBAtoms() const
Property
The number of predefined properties for AtomContainer.
PDBAtom * getPDBAtom(Position position)
void append(Residue &residue)
void insertBefore(SecondaryStructure &secondary_structure, Composite &before)
virtual ~Chain()
Destructor.
const Protein * getProtein() const
void splice(Chain &chain)