Source code for gromacs.exceptions

# GromacsWrapper
# Copyright (c) 2009-2010 Oliver Beckstein <>
# Released under the GNU Public License 3 (or higher, your choice)
# See the file COPYING for details.

# exceptions and warnings

[docs] class GromacsError(EnvironmentError): """Error raised when a gromacs tool fails. Returns error code in the errno attribute and a string in strerror. # TODO: return status code and possibly error message """
[docs] class MissingDataError(Exception): """Error raised when prerequisite data are not available. For analysis with :class:`gromacs.analysis.core.Simulation` this typically means that the :meth:`~gromacs.analysis.core.Simulation.analyze` method has to be run first. """
[docs] class ParseError(Exception): """Error raised when parsing of a file failed."""
[docs] class GromacsFailureWarning(Warning): """Warning about failure of a Gromacs tool."""
[docs] class GromacsImportWarning(ImportWarning): """Warns about problems with using a gromacs tool."""
[docs] class GromacsValueWarning(Warning): """Warns about problems with the value of an option or variable."""
[docs] class AutoCorrectionWarning(Warning): """Warns about cases when the code is choosing new values automatically."""
[docs] class BadParameterWarning(Warning): """Warns if some parameters or variables are unlikely to be appropriate or correct."""
[docs] class MissingDataWarning(Warning): """Warns when prerequisite data/files are not available."""
[docs] class UsageWarning(Warning): """Warns if usage is unexpected/documentation ambiguous."""
[docs] class LowAccuracyWarning(Warning): """Warns that results may possibly have low accuracy."""
import warnings # These warnings should always be displayed because other parameters # can have changed, eg during interactive use. for w in ( AutoCorrectionWarning, BadParameterWarning, UsageWarning, GromacsFailureWarning, GromacsValueWarning, LowAccuracyWarning, ): warnings.simplefilter("always", category=w) del w