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added export scoring parameter #838

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added export scoring parameter #838

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mgiulini
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You are about to submit a new Pull Request. Before continuing make sure you read the contributing guidelines and that you comply with the following criteria:

  • You have sticked to Python. Please talk to us before adding other programming languages to HADDOCK3
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Closes #833 by adding the export parameter in scoring modules. If false, input models are exported

@mgiulini mgiulini self-assigned this Mar 26, 2024
@mgiulini mgiulini marked this pull request as ready for review March 26, 2024 16:53
@mgiulini mgiulini added enhancement Enhancing an existing feature of adding a new one m|emscoring Related to emscoring module m|mdscoring mdscoring module workflow All the general parts of HADDOCK3 not related to any module in particular labels Mar 26, 2024
VGPReys
VGPReys approved these changes Mar 27, 2024
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Do we want also to have tests evaluating that input models are identical to output models ?

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Do we want also to have tests evaluating that input models are identical to output models ?

it would be very nice but it requires the development of another integration test..

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@VGPReys VGPReys VGPReys approved these changes

@amjjbonvin amjjbonvin Awaiting requested review from amjjbonvin

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enhancement Enhancing an existing feature of adding a new one m|emscoring Related to emscoring module m|mdscoring mdscoring module workflow All the general parts of HADDOCK3 not related to any module in particular
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add an option to not export modified models in scoring modules
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@mgiulini @VGPReys