openforcefield.utils.utils.convert_all_strings_to_quantity¶
-
openforcefield.utils.utils.convert_all_strings_to_quantity(smirnoff_data)[source]¶ Traverses a SMIRNOFF data structure, attempting to convert all quantity-defining strings into simtk.unit.Quantity objects.
Integers and floats are ignored and not converted into a dimensionless
simtk.unit.Quantityobject.- Parameters
- smirnoff_datadict
A hierarchical dict structured in compliance with the SMIRNOFF spec
- Returns
- converted_smirnoff_datadict
A hierarchical dict structured in compliance with the SMIRNOFF spec, with quantity-defining strings converted to simtk.unit.Quantity objects