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Update structuredata.md
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mikibonacci authored Dec 13, 2023
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Expand Up @@ -115,7 +115,7 @@ Units of magnetization are Bohr magnetons.
TOBE ADDED: See the corresponding page on `magnetization` to have a full description of the property.

**Property definition**: in the constructor, each property is provided by means of standard python built-in data types, e.g. lists, tuples, int and so on. We allow only a unique way to define/provide a given property, e.g. magnetization must be always provided as a *list of 3D vectors*, one for each atom (even if the magnetization is zero somewhere). This will simplify types, units and consistency checks.
Some property class will be provided with classmethods used to convert from other to the pre-defined format. For example, we can invoke `Magnetization.from_collinear([1,-1,...0],direction=[cos(a),cos(b),cos(c)])` to produce the required list of 3D vectors needed in our StructureData instance definition. We may also define a `to_collinear` methods, but this will not be useful in terms of the property definition inside the StructureData node.
Some property class will be provided with classmethods used to convert from other to the pre-defined format. For example, we can invoke `Magnetization.from_collinear([1,-1,...0],direction=[cos(a),cos(b),cos(c)])` to produce the required list of 3D vectors needed in our StructureData instance definition. We may also define a `to_collinear` methods, but this will not be useful in terms of the property definition inside the StructureData node: it can be useful in case we need to provide some different format in particular plugins.

## The immutability of the `StructureData` instance and constructors

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