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leonarski_f e0ff51e2a0 lattice: transpose the change of basis to a primitive cell, as everywhere else 
gemmi states centred_to_primitive as an operator on COORDINATES and
CrystalLattice::Multiply combines BASIS VECTORS, so the matrix has to be
transposed on the way in - as it already is at both of the other places a gemmi
Op::Rot reaches Multiply, one of them in this same file.

A, B, C, I and F are symmetric matrices, so for them the transpose is a no-op
and the omission never showed. R and H are not. Measured on an R-centred
hexagonal lattice, ToPrimitive('R') returned 59.5 81.7 43.3 / 145.6 124.5 46.7
where the rhombohedral primitive cell is 49.3 49.3 49.3 / 60.9 60.9 60.9. What
hid it is that a determinant is unchanged by transposition, so the VOLUME came
out right - and most callers only take the volume.

It is not only cosmetic: the result feeds the re-seating path that puts a
lattice into a space group the user fixed by hand, so an R-centred lattice was
handed the classifier a "primitive" cell that is not that lattice - broken for
exactly the centring whose setting most needs re-seating.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N
(cherry picked from commit 6ca00e927d664e870515c04164defa81d8a18725)
2026-08-31 07:17:00 +02:00
..
ADUHistogram.cpp
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ADUHistogram.h
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
AutoIncrVector.h
v1.0.0-rc.139 (#49)
2026-04-29 09:50:50 +02:00
AzimuthalIntegrationMapping.cpp
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
AzimuthalIntegrationMapping.h
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
AzimuthalIntegrationProfile.cpp
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
AzimuthalIntegrationProfile.h
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
AzimuthalIntegrationSettings.cpp
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
AzimuthalIntegrationSettings.h
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
BraggIntegrationSettings.cpp
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
BraggIntegrationSettings.h
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
BrokerStatus.h
v1.0.0-rc.129 (#36)
2026-03-05 22:13:12 +01:00
CheckPath.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
CMakeLists.txt
geometry: hold the detector plane as axis vectors, and give the discrete part its own home
2026-08-29 23:00:35 +02:00
ColorScale.cpp
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
ColorScale.h
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
CompressedImage.cpp
v1.0.0-rc.40
2025-05-28 18:49:27 +02:00
CompressedImage.h
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
Coord.cpp
geometry: hold the detector plane as axis vectors, and give the discrete part its own home
2026-08-29 23:00:35 +02:00
Coord.h
geometry: hold the detector plane as axis vectors, and give the discrete part its own home
2026-08-29 23:00:35 +02:00
CorrelationCoefficient.cpp
v1.0.0-rc.146 (#56)
2026-05-28 18:48:35 +02:00
CorrelationCoefficient.h
v1.0.0-rc.146 (#56)
2026-05-28 18:48:35 +02:00
CrystalLattice.cpp
lattice: transpose the change of basis to a primitive cell, as everywhere else
2026-08-31 07:17:00 +02:00
CrystalLattice.h
indexing: refuse a coplanar candidate, and search the plane normal when the shortlist is flat
2026-08-29 20:31:20 +02:00
CUDAWrapper.cpp
v1.0.0-rc.165 (#75)
2026-08-27 22:16:54 +02:00
CUDAWrapper.cu
v1.0.0-rc.165 (#75)
2026-08-27 22:16:54 +02:00
CUDAWrapper.h
v1.0.0-rc.165 (#75)
2026-08-27 22:16:54 +02:00
DarkMaskSettings.cpp
v1.0.0-rc.139 (#49)
2026-04-29 09:50:50 +02:00
DarkMaskSettings.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
DatasetSettings.cpp
symmetry: carry the space group as the group, not as its number
2026-08-31 07:16:43 +02:00
DatasetSettings.h
symmetry: carry the space group as the group, not as its number
2026-08-31 07:16:43 +02:00
Definitions.h
Ice rings: carry the list past 1.5 A, where ice does not stop
2026-08-28 11:27:28 +02:00
DetectorGeometry.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
DetectorGeometryFixed.cpp
v1.0.0-rc.135 (#44)
2026-04-16 11:59:59 +02:00
DetectorGeometryFixed.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
DetectorGeometryModular.cpp
v1.0.0-rc.135 (#44)
2026-04-16 11:59:59 +02:00
DetectorGeometryModular.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
DetectorModuleGeometry.cpp
v1.0.0-rc.103 (#8)
2025-11-19 09:40:50 +01:00
DetectorModuleGeometry.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
DetectorOrientation.cpp
reader: take a miniCBF's mounting from the imgCIF axis table its header states
2026-08-30 14:03:32 +02:00
DetectorOrientation.h
reader: take a miniCBF's mounting from the imgCIF axis table its header states
2026-08-30 14:03:32 +02:00
DetectorSettings.cpp
v1.0.0-rc.139 (#49)
2026-04-29 09:50:50 +02:00
DetectorSettings.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
DetectorSetup.cpp
geometry: hold the detector plane as axis vectors, and give the discrete part its own home
2026-08-29 23:00:35 +02:00
DetectorSetup.h
geometry: hold the detector plane as axis vectors, and give the discrete part its own home
2026-08-29 23:00:35 +02:00
DetectorTransformation.cpp
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
DetectorTransformation.h
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
DiffractionExperiment.cpp
symmetry: carry the space group as the group, not as its number
2026-08-31 07:16:43 +02:00
DiffractionExperiment.h
symmetry: carry the space group as the group, not as its number
2026-08-31 07:16:43 +02:00
DiffractionGeometry.cpp
geometry: hold the detector plane as axis vectors, and give the discrete part its own home
2026-08-29 23:00:35 +02:00
DiffractionGeometry.h
geometry: hold the detector plane as axis vectors, and give the discrete part its own home
2026-08-29 23:00:35 +02:00
DiffractionSpot.cpp
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
DiffractionSpot.h
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
FileWriterSettings.cpp
v1.0.0-rc.160 (#70)
2026-07-19 09:39:28 +02:00
FileWriterSettings.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
GitInfo.cpp.in
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
GitInfo.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
GoniometerAxis.cpp
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
GoniometerAxis.h
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
GridScanSettings.cpp
v1.0.0-rc.104 (#9)
2025-11-19 17:28:10 +01:00
GridScanSettings.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
Histogram.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
hkl_key.h
v1.0.0-rc.124 (#31)
2026-02-01 13:29:33 +01:00
ImageBuffer.cpp
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ImageBuffer.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
ImageFormatSettings.cpp
v1.0.0-rc.139 (#49)
2026-04-29 09:50:50 +02:00
ImageFormatSettings.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
IndexingSettings.cpp
indexing: refuse a coplanar candidate, and search the plane normal when the shortlist is flat
2026-08-29 20:31:20 +02:00
IndexingSettings.h
indexing: refuse a coplanar candidate, and search the plane normal when the shortlist is flat
2026-08-29 20:31:20 +02:00
InstrumentMetadata.cpp
version 1.0.0-rc.27
2024-12-02 21:17:14 +01:00
InstrumentMetadata.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
JFJochException.h
indexing: tell an indexer that failed apart from one that found nothing
2026-08-29 15:30:28 +02:00
JFJochMath.h
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
JFJochMessages.h
symmetry: carry the space group as the group, not as its number
2026-08-31 07:16:43 +02:00
JFJochReceiverPlots.cpp
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
JFJochReceiverPlots.h
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
JfjochTCP.h
v1.0.0-rc.165 (#75)
2026-08-27 22:16:54 +02:00
Logger.cpp
v1.0.0-rc.82
2025-09-22 19:49:39 +02:00
Logger.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
ModuleSummation.cpp
v1.0.0-rc.135 (#44)
2026-04-16 11:59:59 +02:00
ModuleSummation.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
MovingAverage.cpp
v1.0.0-rc.135 (#44)
2026-04-16 11:59:59 +02:00
MovingAverage.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
MultiLinePlot.cpp
v1.0.0-rc.40
2025-05-28 18:49:27 +02:00
MultiLinePlot.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
NetworkAddressConvert.cpp
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
NetworkAddressConvert.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
ParallelFor.h
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
PixelMask.cpp
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
PixelMask.h
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
Plot.h
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
print_license.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
RawToConvertedGeometry.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
RawToConvertedGeometryCore.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
Reflection.h
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
ResolutionShells.cpp
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
ResolutionShells.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
ROIAzimuthal.cpp
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ROIAzimuthal.h
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ROIBox.cpp
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ROIBox.h
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ROICircle.cpp
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ROICircle.h
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ROIDefinition.cpp
version 1.0.0-rc.29
2024-12-08 13:26:13 +01:00
ROIDefinition.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
ROIElement.cpp
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ROIElement.h
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ROIMap.cpp
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
ROIMap.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
ScalingSettings.cpp
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
ScalingSettings.h
v1.0.0-rc.164 (#74)
2026-08-26 22:47:00 +02:00
ScanResult.cpp
v1.0.0-rc.44
2025-06-15 17:46:46 +02:00
ScanResult.h
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
ScanResultGenerator.cpp
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
ScanResultGenerator.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
SpotToSave.cpp
v1.0.0-rc.72
2025-09-08 20:28:59 +02:00
SpotToSave.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
StatusVector.cpp
v1.0.0-rc.135 (#44)
2026-04-16 11:59:59 +02:00
StatusVector.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
TableChecksum.h
v1.0.0.rc-162 (#72)
2026-08-25 08:21:39 +02:00
ThreadSafeFIFO.h
v1.0.0-rc.135 (#44)
2026-04-16 11:59:59 +02:00
time_utc.h
v1.0.0-rc.153 (#63)
2026-06-23 20:29:49 +02:00
TopPixels.cpp
v1.0.0-rc.121 (#28)
2025-12-12 21:24:20 +01:00
TopPixels.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
UnitCell.cpp
v1.0.0-rc.146 (#56)
2026-05-28 18:48:35 +02:00
UnitCell.h
v1.0.0-rc.146 (#56)
2026-05-28 18:48:35 +02:00
XrayFluorescenceSpectrum.cpp
v1.0.0-rc.81
2025-09-21 19:27:51 +02:00
XrayFluorescenceSpectrum.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
ZeroCopyReturnValue.cpp
v1.0.0.rc-161 (#71)
2026-08-13 17:03:10 +02:00
ZeroCopyReturnValue.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00
ZMQWrappers.cpp
v1.0.0-rc.135 (#44)
2026-04-16 11:59:59 +02:00
ZMQWrappers.h
v1.0.0-rc.148 (#58)
2026-06-08 08:30:35 +02:00