#!/usr/bin/env python
##############################################################################
#
# diffpy.pdfmorph by DANSE Diffraction group
# Simon J. L. Billinge
# (c) 2010 Trustees of the Columbia University
# in the City of New York. All rights reserved.
#
# File coded by: Chris Farrow
#
# See AUTHORS.txt for a list of people who contributed.
# See LICENSE.txt for license information.
#
##############################################################################
"""class MorphRGrid -- put morph and target on desired grid.
"""
import numpy
from diffpy.pdfmorph.morphs.morph import LABEL_GR, LABEL_RA, Morph
# roundoff tolerance for selecting bounds on arrays.
epsilon = 1e-8
[docs]
class MorphRGrid(Morph):
"""Resample to specified r-grid.
This resamples both the morph and target arrays to be on the
specified grid.
Configuration Variables
-----------------------
rmin
The lower-bound on the r-range.
rmax
The upper-bound on the r-range (exclusive within tolerance of 1e-8).
rstep
The r-spacing.
Notes
-----
If any of these is not defined or outside the bounds of the input arrays,
then it will be taken to be the most inclusive value from the input arrays.
These modified values will be stored as the above attributes.
"""
# Define input output types
summary = "Interplolate data onto specified grid"
xinlabel = LABEL_RA
yinlabel = LABEL_GR
xoutlabel = LABEL_RA
youtlabel = LABEL_GR
parnames = ["rmin", "rmax", "rstep"]
[docs]
def morph(self, x_morph, y_morph, x_target, y_target):
"""Resample arrays onto specified grid."""
Morph.morph(self, x_morph, y_morph, x_target, y_target)
rmininc = max(self.x_target_in[0], self.x_morph_in[0])
r_step_target = self.x_target_in[1] - self.x_target_in[0]
r_step_morph = self.x_morph_in[1] - self.x_morph_in[0]
rstepinc = max(r_step_target, r_step_morph)
rmaxinc = min(self.x_target_in[-1] + r_step_target, self.x_morph_in[-1] + r_step_morph)
if self.rmin is None or self.rmin < rmininc:
self.rmin = rmininc
if self.rmax is None or self.rmax > rmaxinc:
self.rmax = rmaxinc
if self.rstep is None or self.rstep < rstepinc:
self.rstep = rstepinc
# Make sure that rmax is exclusive
self.x_morph_out = numpy.arange(self.rmin, self.rmax - epsilon, self.rstep)
self.y_morph_out = numpy.interp(self.x_morph_out, self.x_morph_in, self.y_morph_in)
self.x_target_out = self.x_morph_out.copy()
self.y_target_out = numpy.interp(self.x_target_out, self.x_target_in, self.y_target_in)
return self.xyallout
# End of class MorphRGrid