Added 'zone' option to mslice export

hexane360 · Jan 12, 2024 · d927da9 · d927da9
1 parent 1e4e9e2
commit d927da9
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Showing 2 changed files with 8 additions and 1 deletion.
diff --git a/atomlib/io/mslice.py b/atomlib/io/mslice.py
@@ -126,6 +126,7 @@ def write_mslice(cell: HasAtomCell, f: FileOrPath, template: t.Optional[MSliceFi
                  conv_angle: t.Optional[float] = None,  # mrad
                  energy: t.Optional[float] = None,  # keV
                  defocus: t.Optional[float] = None,  # angstrom
+                 tilt: t.Optional[t.Tuple[float, float]] = None,  # (mrad, mrad)
                  tds: t.Optional[bool] = None,
                  n_cells: t.Optional[ArrayLike] = None):
     """
@@ -216,6 +217,11 @@ def parse_xml_object(obj: et.Element) -> t.Dict[str, t.Any]:
     set_attr(struct, 'bparam', 'float', b)
     set_attr(struct, 'cparam', 'float', c)
 
+    if tilt is not None:
+        (tiltx, tilty) = tilt
+        set_attr(struct, 'tiltx', 'float', f"{tiltx:.4g}")
+        set_attr(struct, 'tilty', 'float', f"{tilty:.4g}")
+
     if slice_thickness is not None:
         set_attr(params, 'slicethickness', 'float', f"{float(slice_thickness):.8g}")
     if tds is not None:

diff --git a/atomlib/mixins.py b/atomlib/mixins.py
@@ -128,6 +128,7 @@ def write_mslice(self, f: FileOrPath, template: t.Optional[MSliceFile] = None, *
                  conv_angle: t.Optional[float] = None,  # mrad
                  energy: t.Optional[float] = None,  # keV
                  defocus: t.Optional[float] = None,  # angstrom
+                 tilt: t.Optional[t.Tuple[float, float]] = None,  # (mrad, mrad)
                  tds: t.Optional[bool] = None,
                  n_cells: t.Optional[ArrayLike] = None):
         """
@@ -144,7 +145,7 @@ def write_mslice(self, f: FileOrPath, template: t.Optional[MSliceFile] = None, *
         return write_mslice(self, f, template, slice_thickness=slice_thickness,
                             scan_points=scan_points, scan_extent=scan_extent,
                             conv_angle=conv_angle, energy=energy, defocus=defocus,
-                            noise_sigma=noise_sigma, tds=tds, n_cells=n_cells)
+                            noise_sigma=noise_sigma, tilt=tilt, tds=tds, n_cells=n_cells)
 
     def write_qe(self, f: FileOrPath, pseudo: t.Optional[t.Mapping[str, str]] = None):
         from .io import write_qe