friendzone.nwx2molssi.qcschema_api

Classes

QCSchemaAPI

The API for computing a MolSSI QCSchema AtomicResult from an

Module Contents

class friendzone.nwx2molssi.qcschema_api.QCSchemaAPI

Bases: pluginplay.PythonOnlyPropertyType

The API for computing a MolSSI QCSchema AtomicResult from an AtomicInput.

Both the input and the result are opaque Python objects (in practice qcelemental.models.v2.AtomicInput/AtomicResult instances), which is why this property type is defined purely in Python via pluginplay.PythonOnlyPropertyType rather than as a typed C++ property type.