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Separate public / private interface. #43

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merged 1 commit into from
Jun 15, 2020

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@greschd greschd commented Jun 14, 2020

Fixes #41, fixes #42

Separate the public / private interface and rename as discussed in #41

As discussed in #42, the duplicated code from CpInputFile and PwInputFile has been moved into the common base, which was renamed and made private.

The constants are now given as a SimpleNamespace, instead of defined at the top-level of their module. The reason for this is that we want to be compatible with adding version-specific constants later on. This could now be done by adding a get_constants function that takes the QE version as input, and returns the SimpleNamespace of corresponding constants.

#25 is also related, but not completely fixed

Next steps:

TODO for 2.0 release proper:

Separate the public and private interface, as detailed in
issues aiidateam#41,42,25.
The duplicated code from CpInputFile and PwInputFile has been
moved into the common base, which was renamed and made private.
The constants are now given as a SimpleNamespace, instead of
defined at the top-level of their module. The reason for this is
that we want to be compatible with adding version-specific
constants later on. This could now be done by adding a
'get_constants' function that takes the QE version as input,
and returns the SimpleNamespace of corresponding constants.
@greschd greschd marked this pull request as draft June 14, 2020 19:35
@greschd greschd requested a review from giovannipizzi June 14, 2020 19:35
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Thanks!

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Of course I'm happy to re-review if you want to address the remaining points before

@greschd greschd marked this pull request as ready for review June 15, 2020 13:28
@greschd greschd merged commit aedee19 into aiidateam:develop Jun 15, 2020
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greschd commented Jun 15, 2020

Of course I'm happy to re-review if you want to address the remaining points before

Nah, I've made separate issues for that.

@greschd greschd deleted the update_public_private_separation branch June 15, 2020 14:46
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Structure of Qe/Pw/CpInputFile Clearly define public vs. private interface
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