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Fix issue #35 - #36

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lohedges merged 2 commits into
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fix_35
Aug 2, 2026
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Fix issue #35#36
lohedges merged 2 commits into
develfrom
fix_35

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@lohedges lohedges commented Aug 2, 2026

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num_waters() returned self._N, which move() maintains for the volume it samples, and cleared _is_bulk to mark the cache valid. Nothing invalidated t when positions changed, so a later call could report a count belonging to earlier positions, and the flag it cleared also records the move type.

Give the reported count its own attribute, recount whenever there is a context to count from, and leave _is_bulk to move(). Return the box count directly when no region is defined, which previously reached the region recount and failed on the reference indices it never set.

Also adds a missing test file for #31.

@lohedges lohedges added the bug Something isn't working label Aug 2, 2026
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lohedges merged commit 89e78e7 into devel Aug 2, 2026
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lohedges deleted the fix_35 branch August 2, 2026 14:13
@lohedges lohedges mentioned this pull request Aug 2, 2026
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