def test_save_jana_with_no_lattice_information(self):
peaks = CloneWorkspace(self._workspace)
peaks.sample().clearOrientedLattice()
file_name = os.path.join(self._test_dir, "test_jana_no_lattice.hkl")
# Act
SaveReflections(InputWorkspace=peaks, Filename=file_name,
Format="Jana", SplitFiles=False)
def _create_indexed_workspace(self, fractional_peaks, m1m2):
# Create table with the number of columns we need
modulated = CloneWorkspace(fractional_peaks)
lattice = modulated.sample().getOrientedLattice()
lattice.setModVec1(V3D(0.5, 0.0, 0.5))
lattice.setModVec2(V3D(0.333, 0.333, 0.))
for row, peak in enumerate(modulated):
row_indices = m1m2[row]
peak.setIntMNP(V3D(row_indices[0], row_indices[1], 0))
return modulated
def _create_indexed_workspace(self, fractional_peaks, m1m2):
# Create table with the number of columns we need
modulated = CloneWorkspace(fractional_peaks)
lattice = modulated.sample().getOrientedLattice()
lattice.setModVec1(V3D(0.5, 0.0, 0.5))
lattice.setModVec2(V3D(0.333, 0.333, 0.))
for row, peak in enumerate(modulated):
row_indices = m1m2[row]
mnp = V3D(row_indices[0], row_indices[1], 0)
peak.setIntMNP(mnp)
# update hkl
modvec = lattice.getModVec(0) * mnp[0] + lattice.getModVec(1) * mnp[1]
hkl = peak.getHKL() + modvec
peak.setHKL(hkl[0], hkl[1], hkl[2])
return modulated
