soprano.nmr#
Contains classes, modules and functions useful for basic NMR analysis. More useful and specialised classes are found in soprano.properties.nmr and in soprano.calculate.nmr
Modules
Contains the Coupling class, which is an extension of the NMRTensor class, and is used to represent a generic coupling tensor between two sites. |
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The Site class is a pydantic model representing a single nuclear spin site in a SpinSystem. |
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Contains the SpinSystem class representing a set of nuclear spin sites in a system and any couplings between sites. |
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Contains the NMRTensor class, simplifying the process of diagonalisation of an NMR tensor as well as its representation in multiple conventions |
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Utility functions for NMR-related properties |