definition of ChainView More...
#include <chain_view.hh>
Inherits ost::mol::ChainBase.
definition of ChainView
Definition at line 37 of file chain_view.hh.
ChainView | ( | ) |
ChainView | ( | ChainViewDataPtr | data, | |
impl::ChainImplPtr | impl | |||
) |
ChainView | ( | const EntityView & | entity, | |
const ChainHandle & | chain | |||
) |
AtomView AddAtom | ( | const AtomHandle & | atom_handle, | |
ViewAddFlags | flags = 0 | |||
) |
Add atom to view.
If the atoms's residue has not been added to the view it will be added.
atom_handle | The atom to add | |
flags | Can be a ORed together combination of ViewAddFlag |
ResidueView AddResidue | ( | const ResidueView & | residue_view, | |
ViewAddFlags | flags = 0 | |||
) |
Add residue to view.
This method is identical to AddResidue(const ResidueHandle&) except that in case ViewAddFlag::INCLUDE_ATOMS is set only the atoms included in the residue view are considered.
If ViewAddFlag::CHECK_DUPLICATES is set, the method will ensure that the view is not already included in the view.
residue_view | The residue view to add | |
flags | Can be a ORed together combination of ViewAddFlag. Flags that do not affect the operation are silently ignored. |
ResidueView AddResidue | ( | const ResidueHandle & | residue_handle, | |
ViewAddFlags | flags = 0 | |||
) |
Add residue to view.
If ViewAddFlag::CHECK_DUPLICATES is set, the method will ensure that the handle is not already included in the view.
residue_handle | The residue handle to add | |
flags | Can be a ORed together combination of ViewAddFlag. Flags that do not affect the operation are silently ignored. |
void Apply | ( | EntityViewVisitor & | visitor | ) |
void Apply | ( | EntityVisitor & | visitor | ) |
AtomView FindAtom | ( | const AtomHandle & | atom | ) | const |
Find view for given atom handle Deprecated: Use ViewForHandle instead.
ResidueView FindResidue | ( | const ResidueHandle & | handle | ) | const |
ResidueView FindResidue | ( | const ResNum & | number | ) | const |
Find residue by number.
int GetAtomCount | ( | ) | const |
Get number of atoms in this chain view.
int GetBondCount | ( | ) | const |
Get number of all inclusive bonds of this chain.
geom::AlignedCuboid GetBounds | ( | ) | const |
Get entity's axis aligned bounding box.
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).
EntityView GetEntity | ( | ) | const |
Get parent entity view.
ChainHandle GetHandle | ( | ) | const |
Get handle this view points to.
Real GetMass | ( | ) | const |
Get entity's mass.
ResidueView GetResidueByIndex | ( | int | index | ) | const |
get residue by index
returns an invalid residue handle if the index is out of bounds
int GetResidueCount | ( | ) | const |
Get number of residues in this chain view.
int GetResidueIndex | ( | const ResNum & | number | ) | const |
const ResidueViewList& GetResidueList | ( | ) | const |
Get residues of this chain view.
bool HasAtoms | ( | ) | const |
bool InSequence | ( | ) | const |
whether the residues form an ordered sequence with respect to their residue numbers.
bool IsResidueIncluded | ( | const ResidueHandle & | handle | ) | const |
Check whether the view includes the given residue.
bool IsValid | ( | ) | const [inline] |
check validity of handle
Reimplemented from ChainBase.
Definition at line 59 of file chain_view.hh.
operator bool | ( | ) | const [inline] |
check validity of handle
check, whether the chain handle points to a valid handle.
Reimplemented from ChainBase.
Definition at line 56 of file chain_view.hh.
bool operator!= | ( | const ChainView & | rhs | ) | const |
bool operator== | ( | const ChainView & | rhs | ) | const |
void RemoveResidue | ( | ResidueView | view | ) |
remove given residue from the view
void RemoveResidues | ( | ) |
///
remove all residues from the view
EntityView Select | ( | const String & | query_string, | |
QueryFlags | flags = 0 | |||
) | const |
return view based on query String.
EntityView Select | ( | const Query & | q, | |
QueryFlags | flags = 0 | |||
) | const |
return view based on a query object
const ChainViewDataPtr& ViewData | ( | ) | const [inline] |
Get view data.
Definition at line 185 of file chain_view.hh.
ChainViewDataPtr& ViewData | ( | ) | [inline] |
Get view data.
Definition at line 180 of file chain_view.hh.
ResidueView ViewForHandle | ( | const ResidueHandle & | handle | ) | const |
Find residue by residue handle.
AtomView ViewForHandle | ( | const AtomHandle & | atom | ) | const |