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simplifying error message handling in diffraction objects. add .idea to gitigbore #92

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merged 1 commit into from
Jul 4, 2024
Merged

simplifying error message handling in diffraction objects. add .idea to gitigbore #92

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3 changes: 3 additions & 0 deletions .gitignore
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Original file line number Diff line number Diff line change
Expand Up @@ -44,3 +44,6 @@ setup.cfg

# Rever
rever/

# PyCharm
.idea/
45 changes: 13 additions & 32 deletions src/diffpy/utils/scattering_objects/diffraction_objects.py
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Original file line number Diff line number Diff line change
Expand Up @@ -11,6 +11,11 @@
XQUANTITIES = ANGLEQUANTITIES + DQUANTITIES + QQUANTITIES
XUNITS = ["degrees", "radians", "rad", "deg", "inv_angs", "inv_nm", "nm-1", "A-1"]

x_grid_emsg = (
"objects are not on the same x-grid. You may add them using the self.add method "
"and specifying how to handle the mismatch."
)


class Diffraction_object:
def __init__(self, name="", wavelength=None):
Expand Down Expand Up @@ -57,10 +62,7 @@ def __add__(self, other):
elif not isinstance(other, Diffraction_object):
raise TypeError("I only know how to sum two Diffraction_object objects")
elif self.on_tth[0].all() != other.on_tth[0].all():
raise RuntimeError(
"objects are not on the same x-grid. You may add them using the self.add method and"
"specifying how to handle the mismatch."
)
raise RuntimeError(x_grid_emsg)
else:
summed.on_tth[1] = self.on_tth[1] + other.on_tth[1]
summed.on_q[1] = self.on_q[1] + other.on_q[1]
Expand All @@ -74,10 +76,7 @@ def __radd__(self, other):
elif not isinstance(other, Diffraction_object):
raise TypeError("I only know how to sum two Scattering_object objects")
elif self.on_tth[0].all() != other.on_tth[0].all():
raise RuntimeError(
"objects are not on the same x-grid. You may add them using the self.add method and"
"specifying how to handle the mismatch."
)
raise RuntimeError(x_grid_emsg)
else:
summed.on_tth[1] = self.on_tth[1] + other.on_tth[1]
summed.on_q[1] = self.on_q[1] + other.on_q[1]
Expand All @@ -91,10 +90,7 @@ def __sub__(self, other):
elif not isinstance(other, Diffraction_object):
raise TypeError("I only know how to subtract two Scattering_object objects")
elif self.on_tth[0].all() != other.on_tth[0].all():
raise RuntimeError(
"objects are not on the same x-grid. You may subtract them using the self.add method and"
"specifying how to handle the mismatch."
)
raise RuntimeError(x_grid_emsg)
else:
subtracted.on_tth[1] = self.on_tth[1] - other.on_tth[1]
subtracted.on_q[1] = self.on_q[1] - other.on_q[1]
Expand All @@ -108,10 +104,7 @@ def __rsub__(self, other):
elif not isinstance(other, Diffraction_object):
raise TypeError("I only know how to subtract two Scattering_object objects")
elif self.on_tth[0].all() != other.on_tth[0].all():
raise RuntimeError(
"objects are not on the same x-grid. You may subtract them using the self.add method and"
"specifying how to handle the mismatch."
)
raise RuntimeError(x_grid_emsg)
else:
subtracted.on_tth[1] = other.on_tth[1] - self.on_tth[1]
subtracted.on_q[1] = other.on_q[1] - self.on_q[1]
Expand All @@ -125,10 +118,7 @@ def __mul__(self, other):
elif not isinstance(other, Diffraction_object):
raise TypeError("I only know how to multiply two Scattering_object objects")
elif self.on_tth[0].all() != other.on_tth[0].all():
raise RuntimeError(
"objects are not on the same x-grid. You may multiply them using the self.add method and"
"specifying how to handle the mismatch."
)
raise RuntimeError(x_grid_emsg)
else:
multiplied.on_tth[1] = self.on_tth[1] * other.on_tth[1]
multiplied.on_q[1] = self.on_q[1] * other.on_q[1]
Expand All @@ -140,10 +130,7 @@ def __rmul__(self, other):
multiplied.on_tth[1] = other * self.on_tth[1]
multiplied.on_q[1] = other * self.on_q[1]
elif self.on_tth[0].all() != other.on_tth[0].all():
raise RuntimeError(
"objects are not on the same x-grid. You may multiply them using the self.add method and"
"specifying how to handle the mismatch."
)
raise RuntimeError(x_grid_emsg)
else:
multiplied.on_tth[1] = self.on_tth[1] * other.on_tth[1]
multiplied.on_q[1] = self.on_q[1] * other.on_q[1]
Expand All @@ -157,10 +144,7 @@ def __truediv__(self, other):
elif not isinstance(other, Diffraction_object):
raise TypeError("I only know how to multiply two Scattering_object objects")
elif self.on_tth[0].all() != other.on_tth[0].all():
raise RuntimeError(
"objects are not on the same x-grid. You may multiply them using the self.add method and"
"specifying how to handle the mismatch."
)
raise RuntimeError(x_grid_emsg)
else:
divided.on_tth[1] = self.on_tth[1] / other.on_tth[1]
divided.on_q[1] = self.on_q[1] / other.on_q[1]
Expand All @@ -172,10 +156,7 @@ def __rtruediv__(self, other):
divided.on_tth[1] = other / self.on_tth[1]
divided.on_q[1] = other / self.on_q[1]
elif self.on_tth[0].all() != other.on_tth[0].all():
raise RuntimeError(
"Diffraction objects are not on the same x-grid. You may multiply them using the self.add"
"method and specifying how to handle the mismatch."
)
raise RuntimeError(x_grid_emsg)
else:
divided.on_tth[1] = other.on_tth[1] / self.on_tth[1]
divided.on_q[1] = other.on_q[1] / self.on_q[1]
Expand Down