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increase max sampling factor in refinement modules #689

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mgiulini opened this issue Aug 30, 2023 · 0 comments · Fixed by #691
Closed

increase max sampling factor in refinement modules #689

mgiulini opened this issue Aug 30, 2023 · 0 comments · Fixed by #691
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m|emref emref module m|flexref flexref module m|mdref mdref module yaml default parameters Anything related to the YAML configuration files for default parameters

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@mgiulini
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PR #658 added checks on parameters' values. Therefore, the max value of sampling_factor should be higher than one, otherwise it does not make sense to have this parameter. I propose to use 100 as maximum value (high enough to have variability when needed, for example in single structure refinement) and to modify the python code so as to handle possible mistakes when the user has, say, 1k models and sampling_factor = 100 (this should not be allowed).

Default and min values are correct.

@mgiulini mgiulini self-assigned this Aug 30, 2023
@mgiulini mgiulini added m|emref emref module m|flexref flexref module m|mdref mdref module yaml default parameters Anything related to the YAML configuration files for default parameters labels Aug 30, 2023
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m|emref emref module m|flexref flexref module m|mdref mdref module yaml default parameters Anything related to the YAML configuration files for default parameters
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