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Belatedly realised that I forgot to open an issue.
For greater performance of the core Timestep object and its various roles in holding coordinate, box and reader data, Timestep should be made a Cython Extension type.
Describe the solution you'd like
The Timestep object should be made a Cython extension type and all attributes that can be converted to a compiled representation should be.
No change to the API behaviour permitted
NumPy operations should use the NumPy C API wherever possible
Outdated attributes and tests should be removed or changed appropriately
Readers that subclass Timestep (INPCRD) should no longer use their own subclass.
Readers that use the _frame attribute should now hold it in the ts.data dictionary rather than as an optional attribute
All references to the old timestep in the docs should be updated
A single surface where you can cimport the cython layer of core should be constructed.
Is your feature request related to a problem?
Belatedly realised that I forgot to open an issue.
For greater performance of the core
Timestep
object and its various roles in holding coordinate, box and reader data,Timestep
should be made a Cython Extension type.Describe the solution you'd like
Timestep
object should be made a Cython extension type and all attributes that can be converted to a compiled representation should be.Timestep
(INPCRD) should no longer use their own subclass._frame
attribute should now hold it in thets.data
dictionary rather than as an optional attributecimport
the cython layer ofcore
should be constructed.Feedback welcome on PR #3683 !
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