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default mass and charge of Compound to None #1047

Merged
merged 10 commits into from
Aug 8, 2022
Merged

default mass and charge of Compound to None #1047

merged 10 commits into from
Aug 8, 2022

Commits on Jul 25, 2022

  1. default mass and charge to None

    @daico007
    daico007 committed Jul 25, 2022
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  2. fix minor bug

    @daico007
    daico007 committed Jul 25, 2022
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Commits on Jul 27, 2022

  1. handle mass=None when computing density in packing methods

    @daico007
    daico007 committed Jul 27, 2022
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  2. update _particle_mass to raise warning when particle.mass is None

    @daico007
    daico007 committed Jul 27, 2022
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Commits on Jul 28, 2022

  1. return none for ind particle mass 

    warn if there is compound has particle with None mass.
fix unit test
    @daico007
    daico007 committed Jul 28, 2022
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  2. raise warning when particle with none mass in container when its matc… 

    …h is being determined
    @daico007
    daico007 committed Jul 28, 2022
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  3. fix typo

    @daico007
    daico007 committed Jul 28, 2022
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Commits on Jul 29, 2022

  1. add test for none charge

    @daico007
    daico007 committed Jul 29, 2022
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Commits on Aug 3, 2022

  1. handle none charge for protobuf writer

    @daico007
    daico007 committed Aug 3, 2022
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Commits on Aug 8, 2022

  1. Merge branch 'main' into default_mass_charge

    @daico007
    daico007 committed Aug 8, 2022
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