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[depend #3892] Deprecate xdrlib TRRFile.read() and XTCFile.read() in favour of read_direct methods with memoryview inputs #3929

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hmacdope opened this issue Nov 21, 2022 · 0 comments
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Component-lib CZI-performance performance track of CZIEOSS4 grant deprecation Deprecated functionality to give advance warning for API changes. Format-Gromacs
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@hmacdope
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Is your feature request related to a problem?

The TRRFile and XTCFile cython classes currently allocate and return buffers in their respective read() methods.
This is being augmented with methods that read directly into ts.positions, ts.velocities etc directly using memoryviews in #3892 (see read_direct series of methods.)

Describe the solution you'd like

These methods should be deprecated in favour of the more efficient read_direct series of methods. that use memoryviews.

However libmdaxdr is semi-public, so it will require a deprecation warning.

@hmacdope hmacdope added Format-Gromacs Component-lib CZI-performance performance track of CZIEOSS4 grant labels Nov 21, 2022
@hmacdope hmacdope added this to the Release 3.0 milestone Nov 21, 2022
@hmacdope hmacdope self-assigned this Nov 21, 2022
@hmacdope hmacdope mentioned this issue Nov 21, 2022
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@hmacdope hmacdope moved this to In Progress in CZI Performance track Nov 21, 2022
@orbeckst orbeckst added the deprecation Deprecated functionality to give advance warning for API changes. label Jan 3, 2023
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Labels
Component-lib CZI-performance performance track of CZIEOSS4 grant deprecation Deprecated functionality to give advance warning for API changes. Format-Gromacs
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