criosx / molgroups

Composition space modeling for scattering data analysis
MIT License
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Updated Hermite spline #22

Closed hoogerheide closed 3 years ago

hoogerheide commented 3 years ago

Updated Hermite spline to use scipy and numpy functions, mainly for speed.

Replaces the monotone cubic spline code with the scipy PChipInterpolator, which appears to be a more robust algorithm (fewer excursions from the control points). Retains Catmull-Rom capability and damping.

Still needs some testing on a real system.

Also fixes hc_substitution error in molgroups.py and molgroups.cc.