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Object attributes #71

Merged
merged 4 commits into from
Nov 22, 2023
Merged

Object attributes #71

merged 4 commits into from
Nov 22, 2023

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esalx
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@esalx esalx commented Nov 22, 2023

Added Atom, Bond and Promolecule attributes that can be accessible via:

thing.attrib["attribute_name"] = attribute_value

Also added a formal_charge and formal_mult fields to atom that are meant to describe the formal charges on atoms (say N+ in ammonium) or formal spin*2 on atoms (to describe radicals).

Lastly, all molli chem objects can now reference a parent via a weak reference (useful for property lookups) in a _parent field.

@esalx esalx merged commit 5bab72f into dev-v1.0.0b1 Nov 22, 2023
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@blakeo2 blakeo2 deleted the dev-1.0.0b1-feat-attrib branch December 7, 2023 00:46
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