Where the validation in the model's setting, started beside the first on
the forecast (b5980c9ba), is going to be kept, it writes the maps, the map
coefficients and the placed model on the written axes, and the first
validation's p_2fofc/p_fofc/p_anom.ccp4 and p_maps.mtz were overwritten
unread. ModelValidationSchedule::maps_superseded is asked once the
verdict, the setting and the indexing are decided, before any map is
made; the first validation then makes none (the map coefficients and the
MTZ are not built, the three map transforms not run, nothing written).
The answer is the same rule that keeps the forecast validation
afterwards (forecast_kept, now one lambda for both). The kept validation
also brings back the reflections it relabelled, free set included, so
relabel_output does not reindex and redraw them a second time. Where the
forecast is discarded or was never started, everything runs as before,
and modelpar's delete-before-rewrite stays for those cases. If the kept
validation then fails, a warning says no maps were written.
Log lines that disappear (first validation only, kept-forecast runs):
"mean 2mFo-DFc density at atom centres = ...", "anomalous difference map
from ... Bijvoet pairs; strongest density ...", "wrote p_2fofc.ccp4, ...";
in their place: "no maps made here - the validation in the model's
setting writes them". (The "anomalous density ... inverted" warning would
also go; it cannot be raised where a forecast is kept.)
Verified on 8sa8, 8xtg, 9ea5 (forecast kept), 8tyy, 7qis, myob_x10sa (no
forecast): p.mtz, p.hkl, p.cif, the three maps, p_maps.mtz and
p_model.cif/pdb md5-identical to the merge commit, repeated and at -N 8;
the discard path (8sa8 with a rotated model) identical files and log.
Time saved is small with the maps already on the GPU: 8sa8 7.6 -> 7.4 s,
8xtg 5.1 -> 5.0 s, 9ea5 within noise.
Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi
leonarski_fandClaude Opus 5.5
9a1f729993