#include <residue_view.hh>
Inherits ost::mol::ResidueBase.
Atoms are added with ResidueView::AddAtom() and removed with ResidueView::RemoveAtom(). Like other view operations, these operations only affect the view and do not alter the structure and topology of the underlying residue.
Definition at line 39 of file residue_view.hh.
| ResidueView | ( | ) |
Create invalid ResidueView.
| ResidueView | ( | const ChainView & | chain, | |
| const ResidueHandle & | residue | |||
| ) |
Create new residue view.
| chain | is the parent chain view to insert into | |
| residue | is residue handle this view points to. |
| ResidueView | ( | const ResidueViewDataPtr & | data, | |
| const impl::ResidueImplPtr & | impl | |||
| ) |
construct new view from view data and impl.
This has the same effect as using the default copy constructor of the view.
| AtomView AddAtom | ( | const AtomHandle & | atom_handle, | |
| ViewAddFlags | flags = 0 | |||
| ) |
Add atom to view.
If ViewAddFlag::CHECK_DUPLICATES is set, the method will ensure that the handle is not already included in the view.
| atom_handle | the atom handle to add | |
| flags | can be a ORed together combination of ViewAddFlag |
| AtomView AddAtom | ( | const AtomView & | atom_view, | |
| ViewAddFlags | flags = 0 | |||
| ) |
Add atom to view.
If ViewAddFlag::CHECK_DUPLICATES is set, the method will ensure that the view is not already included in this view. This method is an alias for `residue_view.AddAtom(atom_view.GetHandle())`
| atom_view | is the atom view to add | |
| flags | can be a ORed together combination of ViewAddFlag |
| void Apply | ( | EntityViewVisitor & | visitor | ) |
| void Apply | ( | EntityVisitor & | visitor | ) |
Apply entity visitor to whole chain.
| AtomView FindAtom | ( | const AtomHandle & | handle | ) | const |
Find residue by residue handle.
| int GetAtomCount | ( | ) | const |
return number of atoms in this residue view.
| const AtomViewList& GetAtomList | ( | ) | const |
get list of atoms in this view
| geom::Vec3 GetCenterOfAtoms | ( | ) | const |
Get entity's center of atoms (not mass weighted).
Returns the center of all the atoms in an entity. This is similar to GetCenterOfMass(), but the atoms are not mass weighted
| geom::Vec3 GetCenterOfMass | ( | ) | const |
Get entity's center of mass (mass weighted).
| ChainView GetChain | ( | ) | const |
get parent chain view.
| EntityView GetEntity | ( | ) | const |
get entity
| geom::Vec3 GetGeometricCenter | ( | ) | const |
Get entity's geometric center.
Returns the geometric center of the entity's bounding box by calculating (GetGeometricStart()+GetGeometricEnd())/2
| geom::Vec3 GetGeometricEnd | ( | ) | const |
| geom::Vec3 GetGeometricStart | ( | ) | const |
| ResidueHandle GetHandle | ( | ) | const |
get handle this view points to
| int GetIndex | ( | ) | const |
get index of residue view in chain
| double GetMass | ( | ) | const |
Get entity's mass.
| bool IsAtomIncluded | ( | const AtomHandle & | handle | ) | const |
Check whether the view includes the the given atom.
| bool operator!= | ( | const ResidueView & | rhs | ) | const |
| bool operator== | ( | const ResidueView & | rhs | ) | const |
| void RemoveAtom | ( | AtomView | view | ) |
remove given atom from view
all bonds involving this atom will be removed from the view as well.
| void RemoveAtoms | ( | ) |
remove all atoms
all bonds involving one of the atoms will be removed from the view as well.
| EntityView Select | ( | const String & | query_string, | |
| QueryFlags | flags = 0 | |||
| ) | const |
| EntityView Select | ( | const Query & | q, | |
| QueryFlags | flags = 0 | |||
| ) | const |
| void SetIndex | ( | int | index | ) | [protected] |
set the index of residiue view in chain should be called from chainview whenever indexes change
| ResidueViewDataPtr& ViewData | ( | ) | [inline] |
| const ResidueViewDataPtr& ViewData | ( | ) | const [inline] |
friend class ChainView [friend] |
Definition at line 41 of file residue_view.hh.
1.5.8