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);
105 void get(
Chain& chain,
bool deep =
true)
const;
110 void swap(
Chain& chain);
140 const Protein* getProtein()
const;
217 Size countSecondaryStructures()
const;
222 Size countResidues()
const;
227 Size countPDBAtoms()
const;
264 void prepend(
Residue& residue);
296 void spliceBefore(
Chain& chain);
301 void spliceAfter(
Chain &chain);
306 void splice(
Chain &chain);
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
#define BALL_KERNEL_DEFINE_ITERATOR_CREATORS(Type)
BALL_EXPORT SecondaryStructureList secondaryStructures(const AtomContainer &fragment, bool selected_only=false)
const Residue * getNTerminal(const ResidueContainerType &residue_container)
const Residue * getCTerminal(const ResidueContainerType &residue_container)
Property
The number of predefined properties for AtomContainer.
BALL_EXPORT ResidueList residues(const AtomContainer &fragment, bool selected_only=false)
BALL_EXPORT bool operator!=(const String &s1, const String &s2)
#define BALL_CREATE_DEEP(name)
#define BALL_DECLARE_STD_ITERATOR_WRAPPER(container, type, method_name)
BALL_EXPORT bool operator==(const String &s1, const String &s2)
-*- Mode: C++; tab-width: 2; -*-
BALL_EXPORT AtomContainerList atomContainers(const AtomContainer &fragment, bool selected_only=false)