script_interface: fix time_step==-1 sentinel restore guard (bug-sweep #35)#5365
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script_interface: fix time_step==-1 sentinel restore guard (bug-sweep #35)#5365RudolfWeeber wants to merge 1 commit into
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…35) IntegratorHandle::on_bind_system has a guard that skips re-applying the default -1. sentinel time_step during deserialization, since System::set_time_step(-1.) throws std::domain_error for non-positive values. The 5th guard clause evaluated get_value<double> on the *bool* returned by is_type<double>(...) instead of on the stored value. The bool coerces to 1.0, so the clause was permanently 1.0 == -1. (false) and the guard never skipped. Restoring a System whose time_step was never set (stays at the -1. sentinel, default Velocity Verlet / NVT) therefore re-applied set_time_step(-1.) and raised a ValueError. Evaluate the actual stored value: get_value<double>(params.at(key)), restoring the pre-refactor logic. The preceding is_type<double> clause already guarantees the variant holds a double, so this is safe. Added testsuite/python/integrator_time_step_restore.py: a pickle round-trip of a System with an unset time_step must succeed and keep the -1. sentinel. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
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tiny-ocorner corner case, but seems to be legit. |
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IntegratorHandle::on_bind_system has a guard that skips re-applying the
default -1. sentinel time_step during deserialization, since
System::set_time_step(-1.) throws std::domain_error for non-positive
values. The 5th guard clause evaluated get_value on the bool
returned by is_type(...) instead of on the stored value. The
bool coerces to 1.0, so the clause was permanently 1.0 == -1. (false)
and the guard never skipped. Restoring a System whose time_step was
never set (stays at the -1. sentinel, default Velocity Verlet / NVT)
therefore re-applied set_time_step(-1.) and raised a ValueError.
Evaluate the actual stored value: get_value(params.at(key)),
restoring the pre-refactor logic. The preceding is_type clause
already guarantees the variant holds a double, so this is safe.
Added testsuite/python/integrator_time_step_restore.py: a pickle
round-trip of a System with an unset time_step must succeed and keep
the -1. sentinel.
Co-Authored-By: Claude Opus 4.8 noreply@anthropic.com
🤖 Generated with Claude Code