rugnux: always write both MTZ and CIF; drop --scaling-output

The merged reflections were written in one of mtz/cif/txt selected by
--scaling-output. Write both an MTZ and an mmCIF unconditionally instead - each
has its uses downstream (MTZ for the CCP4/phenix tools, mmCIF for deposition) -
and remove the format selector, the plain-text .hkl writer, and the now-unused
IntensityFormat enum / ScalingSettings::FileFormat plumbing.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
This commit is contained in:
2026-07-16 10:45:08 +02:00
co-authored by Claude Opus 4.8
parent ce12d69751
commit eae7ea90dc
7 changed files with 7 additions and 67 deletions
-9
View File
@@ -212,15 +212,6 @@ double ScalingSettings::GetMinCapturedFraction() const {
return min_captured_fraction;
}
ScalingSettings &ScalingSettings::FileFormat(IntensityFormat input) {
intensity_format = input;
return *this;
}
IntensityFormat ScalingSettings::GetFileFormat() const {
return intensity_format;
}
ScalingSettings &ScalingSettings::RfreeFraction(double input) {
if (input < 0.0 || input > 1.0)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "R-free fraction must be between 0 and 1");