criosx / molgroups

Composition space modeling for scattering data analysis
MIT License
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Lipid library changes #27

Closed hoogerheide closed 2 years ago

hoogerheide commented 2 years ago

Leverages the periodictable.fasta library (https://github.com/pkienzle/periodictable) to specify molecular components as "Molecule" objects or their derivative "Component" (includes length) objects.

New Component, Lipid, and Tether classes. BLM models (BLM, ssBLM, tBLM) are now all instances of the base BLM class.