Implement ParticleFile inheritance - generalize ParticleFile #998
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erikvansebille
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Feb 15, 2021
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Except for one small issue with a commented line that could be removed I think, this looks fine
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Based on the performance branches (#862 , #884 , #957 , #958 and #959 ) and in preparation for merging #958 , we establish a a generalized
ParticleFile, with a base particle file (baseparticlefile.py) from whichParticleSet-specific derivatives can inherit. This inheritance and abstract-class implementation is necessary because for array-structures (e.g. AoS, SoA), theparticle.idand the index of a particle is the same, this the particlefile can write-address and house-keep written entries by either ID or index, at not additional performance cost. For ordered sets, the particle's ID and its index are different - the ID is static, the index is chaning (i.e. dynamic). Thus, for those structures, theParticleFileneeds to house-keep and track themaxindex, not themaxid, which comes at steep performance cost. In order to facilitate these differences, a class hierarchy ofParticleFileis necessary to share code and minimize code duplication.This issue is linked with #958 (target ParticleSet to be incorporated after changes), #866 (proper object-oriented programming) and #618 (earlier starting point).