exceptions

Custom exceptions used in Interchange.

Exceptions

AmberError

Base exception for handling Amber-related errors.

AmberExecutableNotFoundError

Exception for when an Amber-related excutable is not found.

ConversionError

Base exception for error handling during object conversion.

EnergyError

Base class for energies in reports not matching.

GMXGromppError

Exception for when gmx grompp fails.

GMXMdrunError

Exception for when gmx mdrun fails.

GMXRunError

Exception for when a GROMACS subprocess fails.

InternalInconsistencyError

Fallback exception for bad behavior releating to a self-inconsistent internal state.

InvalidBoxError

Generic exception for errors reading box data.

InvalidExpressionError

Exception for when an expression cannot safely be interpreted.

InvalidParameterHandlerError

Generic exception for mismatch between expected and found ParameterHandler types.

InvalidTopologyError

Generic exception for errors reading chemical topology data.

LAMMPSRunError

Exception for when a LAMMPS subprocess fails.

MissingBondOrdersError

Exception for when a parameter handler needs fractional bond orders but they are missing.

MissingBoxError

Exception for when box vectors are needed but missing.

MissingEnergyError

Exception for when one report has a value for an energy group but the other does not.

MissingNonbondedCompatibilityError

Exception for uncovered combination of nonbonded methods.

MissingParameterHandlerError

Exception for when a parameter handler is requested but not found.

MissingParametersError

Exception for when parameters are needed but missing.

MissingPositionsError

Exception for when positions are needed but missing.

MissingUnitError

Exception for data missing a unit tag.

NonbondedCompatibilityError

Exception for unsupported combination of nonbonded methods.

NonbondedEnergyError

Exception for when non-bonded energies computed from different objects differ.

SMIRNOFFHandlersNotImplementedError

Exception for when some parameter handlers in the SMIRNOFF specification are not implemented here.

SMIRNOFFParameterAttributeNotImplementedError

Exception for when a parameter attribute is supported by the SMIRNOFF specification but not yet implemented.

SanderError

Exception for when a sander subprocess fails.

ToolkitTopologyConformersNotFoundError

Exception for when reference molecules in a toolkit topology lack conformers.

UnimplementedCutoffMethodError

Exception for a cutoff method that should be supported but it not yet implemented.

UnitValidationError

Exception for bad behavior when validating unit-tagged data.

UnsupportedBoxError

Exception for processing an unsupported box, probably non-orthogonal.

UnsupportedCutoffMethodError

Exception for a cutoff method that is invalid or not supported by an engine.

UnsupportedExportError

Exception for attempting to write to an unsupported file format.

UnsupportedParameterError

Exception for parameters having unsupported values, i.e. non-1.0 idivf.

`AmberError`	Base exception for handling Amber-related errors.
`AmberExecutableNotFoundError`	Exception for when an Amber-related excutable is not found.
`ConversionError`	Base exception for error handling during object conversion.
`EnergyError`	Base class for energies in reports not matching.
`GMXGromppError`	Exception for when gmx grompp fails.
`GMXMdrunError`	Exception for when gmx mdrun fails.
`GMXRunError`	Exception for when a GROMACS subprocess fails.
`InternalInconsistencyError`	Fallback exception for bad behavior releating to a self-inconsistent internal state.
`InvalidBoxError`	Generic exception for errors reading box data.
`InvalidExpressionError`	Exception for when an expression cannot safely be interpreted.
`InvalidParameterHandlerError`	Generic exception for mismatch between expected and found ParameterHandler types.
`InvalidTopologyError`	Generic exception for errors reading chemical topology data.
`LAMMPSRunError`	Exception for when a LAMMPS subprocess fails.
`MissingBondOrdersError`	Exception for when a parameter handler needs fractional bond orders but they are missing.
`MissingBoxError`	Exception for when box vectors are needed but missing.
`MissingEnergyError`	Exception for when one report has a value for an energy group but the other does not.
`MissingNonbondedCompatibilityError`	Exception for uncovered combination of nonbonded methods.
`MissingParameterHandlerError`	Exception for when a parameter handler is requested but not found.
`MissingParametersError`	Exception for when parameters are needed but missing.
`MissingPositionsError`	Exception for when positions are needed but missing.
`MissingUnitError`	Exception for data missing a unit tag.
`NonbondedCompatibilityError`	Exception for unsupported combination of nonbonded methods.
`NonbondedEnergyError`	Exception for when non-bonded energies computed from different objects differ.
`SMIRNOFFHandlersNotImplementedError`	Exception for when some parameter handlers in the SMIRNOFF specification are not implemented here.
`SMIRNOFFParameterAttributeNotImplementedError`	Exception for when a parameter attribute is supported by the SMIRNOFF specification but not yet implemented.
`SanderError`	Exception for when a sander subprocess fails.
`ToolkitTopologyConformersNotFoundError`	Exception for when reference molecules in a toolkit topology lack conformers.
`UnimplementedCutoffMethodError`	Exception for a cutoff method that should be supported but it not yet implemented.
`UnitValidationError`	Exception for bad behavior when validating unit-tagged data.
`UnsupportedBoxError`	Exception for processing an unsupported box, probably non-orthogonal.
`UnsupportedCutoffMethodError`	Exception for a cutoff method that is invalid or not supported by an engine.
`UnsupportedExportError`	Exception for attempting to write to an unsupported file format.
`UnsupportedParameterError`	Exception for parameters having unsupported values, i.e. non-1.0 idivf.