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feat: expose ReflectionProfileDoubleExponentialPseudoVoigt (TOF profile) to Python #117
libobjcryst provides a double-exponential pseudo-Voigt profile for time-of-flight neutron data, ReflectionProfileDoubleExponentialPseudoVoigt (ObjCryst/ReflectionProfile.h), but pyobjcryst does not bind it. src/extensions/reflectionprofile_ext.cpp only exposes ReflectionProfilePseudoVoigt, ReflectionProfilePseudoVoigtTCH and ReflectionProfilePseudoVoigtAnisotropic.
Other TOF support is already available from Python (the WAVELENGTH_TOF enum, PowderPattern.ImportPowderPatternTOF_ISIS_XYSigma, and the internal TOF intensity correction), so the missing profile is the main thing preventing TOF Rietveld refinement from Python. Currently the only way to use it is to load a ReflectionProfileDoubleExponentialPseudoVoigt tag via XMLInput.
Proposed solution
Add a class_<ReflectionProfileDoubleExponentialPseudoVoigt, bases<ReflectionProfile>> binding in reflectionprofile_ext.cpp, following the same pattern as the ReflectionProfilePseudoVoigtTCH binding added in #115:
Please note that I do not know C++ and that this issue was generated by Claude. I am working on rietveld refinement code through diffpy.cmi and this issue was discovered by Claude.
Activity
cadenmyers13 commentedon Oct 23, 2026
Please note that I do not know C++ and that this issue was generated by Claude. I am working on rietveld refinement code through diffpy.cmi and this issue was discovered by Claude.