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src/diffraction_utils/data_file.py

@@ -63,6 +63,7 @@ def __init__(
 
         # Run the various parsers to initialize non-trivial attributes.
         self.probe_energy = self._parse_probe_energy()
+        self.probe_wavelength = self._calc_probe_wavelength()
         self.default_axis_name = self._parse_default_axis_name()
         self.default_signal_name = self._parse_default_signal_name()
         self.default_axis = self._parse_default_axis()
@@ -149,6 +150,12 @@ def _parse_probe_energy(self):
         The energy of the probe particle, in eV.
         """
 
+    @abstractmethod
+    def _calc_probe_wavelength(self):
+        """
+        The energy of the probe particle, in eV.
+        """
+
     @abstractmethod
     def _parse_default_signal(self) -> np.ndarray:
         """
@@ -326,7 +333,7 @@ def _try_to_find_files(filenames: List[str], additional_search_paths: List[str])
     firstfile = filenames[0].split("/")[-1]
     # assume if first file is found that paths are good
     if os.path.exists(localpath / firstfile):
-        found_files = [localpath / file.split("/")[-1] for file in filenames]
+        found_files = [str(localpath / file.split("/")[-1]) for file in filenames]
         return found_files
 
     # This function was written to handle strings, not pathlib.Paths.

src/diffraction_utils/diffractometers/diamond_i07.py

@@ -7,7 +7,6 @@
 """
 
 import numpy as np
-from scipy.constants import Planck, elementary_charge, speed_of_light
 from scipy.spatial.transform import Rotation
 
 from ..diffractometer_base import DiffractometerBase
@@ -18,16 +17,6 @@
 INSB_LATTICE_PARAMETER = 6.479  # In Å.
 
 
-def _energy_to_wavelength(energy_in_ev):
-    """
-    Converts the incident beam energy into wavelength in Å.
-
-    Args:
-        Energy of the probe particle in electron volts.
-    """
-    return Planck * speed_of_light / (energy_in_ev * elementary_charge) * 1e10
-
-
 class I07Diffractometer(DiffractometerBase):
     """
     Implementation of DiffractometerBase for the diffractometer in Diamond's I07
@@ -199,16 +188,14 @@ def _insb_111_theta(self):
         Returns the scattering theta of the InSb (111) reflection. Needed to
         calculate the incident beam orientation in the DCD setup.
         """
-        wavelength = _energy_to_wavelength(self.data_file.probe_energy)
         d_111 = INSB_LATTICE_PARAMETER / np.sqrt(3)
-        return np.arcsin(wavelength / (2 * d_111)) * 180 / np.pi
+        return np.arcsin(self.data_file.probe_wavelength / (2 * d_111)) * 180 / np.pi
 
     @property
     def _insb_220_theta(self):
         """
         Returns the scattering theta of the InSb (220) reflection. Needed to
         calculate the incident beam orientation in the DCD setup.
         """
-        wavelength = _energy_to_wavelength(self.data_file.probe_energy)
         d_220 = INSB_LATTICE_PARAMETER / np.sqrt(8)
-        return np.arcsin(wavelength / (2 * d_220)) * 180 / np.pi
+        return np.arcsin(self.data_file.probe_wavelength / (2 * d_220)) * 180 / np.pi