Maps unit.id to index of unit in units array
Array of all units in the structure, sorted by unit.id
Count of all bonds (intra- and inter-unit) in the structure
Conformation transformation that was applied to every unit of this structure.
Coordinate system applies to the current structure only. A parent structure can have a different coordinate system and thefore it has to be composed "manualy" by the consumer.
Property data unique to this instance of the structure.
Count of all elements in the structure, i.e. the sum of the elements in the units
Contains some atomic units
Contains some coarse units
Property data of the parent structure if it exists, currentPropertyData otherwise.
Contains only atomic units
Contains only coarse units
True if any model the structure is based on is coarse grained.
The master-model, other models can have bonds to it
If the structure is based on a single model or has a master-/representative-model, return it. Otherwise throw an exception.
The root/top-most parent or undefined in case this is the root
Count of all polymer gaps in the structure
Count of all polymer residues in the structure
A representative model, e.g. the first model of a trajectory
The parent or itself in case this is the root
Provides mapping for serial element indices accross all units.
Note that this is especially costly for structures with many units that are grouped
into few symmetry groups. Use only when needed and prefer StructureElement
to address elements in a structure.
Get the proxy target. Usefull for equality checks.
Hash based on all unit.id values in the structure, reflecting the units transformation
Maps unit.id to index of SymmetryGroup in unitSymmetryGroups array
For structure with parent this returns a proxy that
targets parent and has structure attached as a child.
Returns a new element location iterator
Generated using TypeDoc
Array of all units in the structure, sorted by unit.id