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Special species "X" not tested for non-disordered structures #304

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CasperWA opened this issue Jun 10, 2020 · 0 comments · Fixed by #305
Closed

Special species "X" not tested for non-disordered structures #304

CasperWA opened this issue Jun 10, 2020 · 0 comments · Fixed by #305
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@CasperWA
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adapters Issues pertaining to adapters (converters) bug Something isn't working priority/high Issue or PR with a consensus of high priority tests Related to tests
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CECAM 2020

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@CasperWA
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This concerns the structures adapter.

A structure with the special non-disordered species including only chemical_symbols = ["X"] is currently not tested for the structures adapter conversion functions.

This is an oversight and should be tested immediately and will indeed change, e.g., the handling of conversion to ASE Atoms.
@CasperWA CasperWA added bug Something isn't working priority/high Issue or PR with a consensus of high priority tests Related to tests adapters Issues pertaining to adapters (converters) labels Jun 10, 2020
@CasperWA CasperWA self-assigned this Jun 10, 2020
@CasperWA CasperWA mentioned this issue Jun 10, 2020
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@CasperWA CasperWA added this to To do in CECAM 2020 via automation Jun 10, 2020
@CasperWA CasperWA moved this from To do to In progress in CECAM 2020 Jun 10, 2020
CECAM 2020 automation moved this from In progress to Done Jun 11, 2020
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Labels
adapters Issues pertaining to adapters (converters) bug Something isn't working priority/high Issue or PR with a consensus of high priority tests Related to tests
Projects
CECAM 2020
  
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Add special species for adapters testing Materials-Consortia/optimade-python-tools
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@CasperWA