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:
@@ -26,9 +26,6 @@ void WriteMtzReflections(const std::vector<MergedReflection> &reflections,
|
||||
const DiffractionExperiment &experiment,
|
||||
const std::string &filename);
|
||||
|
||||
void WriteHKLReflections(const std::vector<MergedReflection> &reflections,
|
||||
const std::string &filename);
|
||||
|
||||
void WriteReflections(const std::vector<MergedReflection> &reflections,
|
||||
const UnitCell &unitCell,
|
||||
const DiffractionExperiment &experiment,
|
||||
|
||||
Reference in New Issue
Block a user