exceptions
Custom exceptions used in Interchange.
Exceptions
Base exception for handling Amber-related errors.
Exception for when an Amber-related excutable is not found.
Failed to infer a physical interpretation of this energy term.
Failed to infer a physical interpretation of this non-bonded energy.
Unable to set a switching function.
Base exception for error handling during object conversion.
Exception for when molecules are not unique.
Base class for energies in reports not matching.
Exception raised when an experimental feature is used without opt-in.
Exception for when a GROMACS subprocess fails.
Exception for when gmx grompp fails.
Exception for when gmx mdrun fails.
Exception for when no GROMACS executable is found.
Exception for when one report has a value for an energy group but the other does not.
Fallback exception for bad behavior releating to a self-inconsistent internal state.
Generic exception for errors reading box data.
Energy type not understood.
Exception for when an expression cannot safely be interpreted.
Generic exception for mismatch between expected and found ParameterHandler types.
Generic exception for errors reading chemical topology data.
An unknown or unimplemnted writer was specified.
Base exception for handling LAMMPS-related errors.
Exception for when no LAMMPS executable is found.
Exception for when a LAMMPS subprocess fails.
Exception raised when there exists an angle for which no parameters are found.
Exception raised when there exists a bond for which no parameters are found.
Exception for when a parameter handler needs fractional bond orders but they are missing.
Exception for when box vectors are needed but missing.
Exception for uncovered combination of nonbonded methods.
Exception for when a parameter handler is requested but not found.
Exception for when parameters are needed but missing.
A molecule is missing partial charges.
Exception for when positions are needed but missing.
Exception raised when there exists a torsion for which no parameters are found.
Exception for data missing a unit tag.
Exception raised when there are valence interactions for which no parameters are found.
Exception raised when the partial charges on a molecule do not sum up to its formal charge.
Exception for unsupported combination of nonbonded methods.
Exception for when non-bonded energies computed from different objects differ.
Exception raised when PACKMOL fails to execute / converge.
Exception raised when a bad input is passed to a PACKMOL wrapper.
A plugin is incompatible with the current version of Interchange in the way it is called.
Exception for when some parameter handlers in the SMIRNOFF specification are not implemented here.
Exception for when a parameter attribute is supported by the SMIRNOFF specification but not yet implemented.
Exception for when a parameter handler's version is not supported.
Exception for when a sander subprocess fails.
Exception raised when there are angle terms for which a ParameterHandler did not find matches.
Exception raised when there are bond terms for which a ParameterHandler did not find matches.
Exception raised when there are torsion terms for which a ParameterHandler did not find matches.
Exception raised when there are valence terms for which a ParameterHandler did not find matches.
Exception for a cutoff method that should be supported but it not yet implemented.
Exception for bad behavior when validating unit-tagged data.
Exception for processing an unsupported box, probably non-orthogonal.
General exception for something going wrong in Interchange object combination.
Exception for a cutoff method that is invalid or not supported by an engine.
Exception for attempting to write to an unsupported file format.
Generic exception for attempting to import from an unsupported data format.
Raised when attempting to use a mixing rule is invalid, unsupported or otherwise not implemented.
Exception for parameters having unsupported values, i.e. non-1.0 idivf.
Raised when this type of virtual site is not yet implemented.