Source code for dclab.features.emodulus

"""Computation of apparent Young's modulus for RT-DC measurements"""
from __future__ import annotations

import numbers
import pathlib
from typing import Literal
import warnings

import numpy as np
import scipy.interpolate as spint

from ...warn import PipelineWarning
from .load import load_lut, load_mtext, register_lut  # noqa: F401
from .pxcorr import get_pixelation_delta
from .pxcorr import get_pixelation_delta_pair  # noqa: F401
# TODO: remove deprecated `convert`
from .scale_linear import convert  # noqa: F401
from .scale_linear import scale_emodulus, scale_feature
from .viscosity import get_viscosity


#: Set this to True to globally enable spline extrapolation when the
#: `area_um`/`deform` data are outside the LUT. This is discouraged and
#: a :class:`KnowWhatYouAreDoingWarning` warning will be issued.
INACCURATE_SPLINE_EXTRAPOLATION = False


[docs] class KnowWhatYouAreDoingWarning(PipelineWarning): pass
[docs] class YoungsModulusLookupTableExceededWarning(PipelineWarning): pass
[docs] def extrapolate_emodulus(lut, datax, deform, emod, deform_norm, deform_thresh=.05, inplace=True): """Use spline interpolation to fill in nan-values When points (`datax`, `deform`) are outside the convex hull of the lut, then :func:`scipy.interpolate.griddata` returns nan-valules. With this function, some of these nan-values are extrapolated using :class:`scipy.interpolate.SmoothBivariateSpline`. The supported extrapolation values are currently limited to those where the deformation is above 0.05. A warning will be issued, because this is not really recommended. Parameters ---------- lut: ndarray of shape (N, 3) The normalized (!! see :func:`normalize`) LUT (first axis is points, second axis enumerates datax, deform, and emodulus) datax: ndarray of size N The normalized x data (corresponding to `lut[:, 0]`) deform: ndarray of size N The normalized deform (corresponding to `lut[:, 1]`) emod: ndarray of size N The emodulus (corresponding to `lut[:, 2]`); If `emod` does not contain nan-values, there is nothing to do here. deform_norm: float The normalization value used to normalize `lut[:, 1]` and `deform`. deform_thresh: float Not the entire LUT is used for bivariate spline interpolation. Only the points where `lut[:, 1] > deform_thresh/deform_norm` are used. This is necessary, because for small deformations, the LUT has an extreme slope that kills any meaningful spline interpolation. inplace: bool If True (default), replaces nan values in `emod` in-place. If False, `emod` is not modified. """ if not inplace: emod = np.array(emod, copy=True) # unknowns are nans and deformation values above the threshold unkn = np.logical_and(np.isnan(emod), deform > deform_thresh/deform_norm) if np.sum(unkn) == 0: # nothing to do return emod warnings.warn("LUT extrapolation is barely tested and may yield " + "unphysical values!", KnowWhatYouAreDoingWarning) lut_crop = lut[lut[:, 1] > deform_thresh/deform_norm, :] itp = spint.SmoothBivariateSpline(x=lut_crop[:, 0], y=lut_crop[:, 1], z=lut_crop[:, 2], ) emod[unkn] = itp.ev(datax[unkn], deform[unkn]) return emod
[docs] def get_emodulus(deform: float | np.array, area_um: float | np.array | None = None, volume: float | np.array | None = None, medium: float | str = "0.49% MC-PBS", channel_width: float = 20.0, flow_rate: float = 0.16, px_um: float = 0.34, temperature: float | np.ndarray | None = 23.0, lut_data: str | pathlib.Path | np.ndarray = "LE-2D-FEM-19", visc_model: Literal['herold-2017', 'herold-2017-fallback', 'buyukurganci-2022', 'kestin-1978', None] = "herold-2017-fallback", extrapolate: bool = INACCURATE_SPLINE_EXTRAPOLATION, copy: bool = True): """Compute apparent Young's modulus using a look-up table Parameters ---------- area_um: float or ndarray Apparent (2D image) area [µm²] of the event(s) deform: float or ndarray Deformation (1-circularity) of the event(s) volume: float or ndarray Apparent volume of the event(s). It is not possible to define `volume` and `area_um` at the same time (makes no sense). .. versionadded:: 0.25.0 medium: str or float The medium to compute the viscosity for. If a string is given, the viscosity is computed. If a float is given, this value is used as the viscosity in mPa*s (Note that `temperature` and `visc_model` must be set to None in this case). channel_width: float The channel width [µm] flow_rate: float Flow rate [µL/s] px_um: float The detector pixel size [µm] used for pixelation correction. Set to zero to disable. temperature: float, ndarray, or None Temperature [°C] of the event(s) lut_data: path, str, or tuple of (np.ndarray of shape (N, 3), dict) The LUT data to use. If it is a built-in identifier, then the respective LUT will be used. Otherwise, a path to a file on disk or a tuple (LUT array, metadata) is possible. The LUT metadata is used to check whether the given features (e.g. `area_um` and `deform`) are valid interpolation choices. .. versionadded:: 0.25.0 visc_model: str The viscosity model to use, see :func:`dclab.features.emodulus.viscosity.get_viscosity` extrapolate: bool Perform extrapolation using :func:`extrapolate_emodulus`. This is discouraged! copy: bool Copy input arrays. If set to false, input arrays are overridden. Returns ------- elasticity: float or ndarray Apparent Young's modulus in kPa Notes ----- - The look-up table used was computed with finite elements methods according to :cite:`Mokbel2017` and complemented with analytical isoelastics from :cite:`Mietke2015`. The original simulation results are available on figshare :cite:`FigshareWittwer2020`. - The computation of the Young's modulus takes into account a correction for the viscosity (medium, channel width, flow rate, and temperature) :cite:`Mietke2015` and a correction for pixelation for the deformation which were derived from a (pixelated) image :cite:`Herold2017`. - Note that while deformation is pixelation-corrected, area_um and volume are scaled to match the LUT data. This is somewhat fortunate, because we don't have to worry about the order of applying pixelation correction and scale conversion. - By using external LUTs, it is possible to interpolate on the volume-deformation plane. This feature was added in version 0.25.0. See Also -------- dclab.features.emodulus.viscosity.get_viscosity: compute viscosity for known media """ # Get lut data lut, lut_meta = load_lut(lut_data) # Get the correct features (sanity checks) featx, featy, _ = lut_meta["column features"] if featx == "area_um" and featy == "deform": assert volume is None, "Don't define area_um and volume at same time!" datax = np.array(area_um, dtype=float, copy=copy) elif featx == "volume" and featy == "deform": assert area_um is None, "Don't define area_um and volume at same time!" datax = np.array(volume, dtype=float, copy=copy) else: raise KeyError("No recipe for '{}' and '{}'!".format(featx, featy)) # copy deform so we can use in-place pixel correction deform = np.array(deform, dtype=float, copy=copy) if px_um: # Correct deformation for pixelation effect (subtract ddelt). # It is important to do this before scaling datax (area_um/volume). deform -= get_pixelation_delta(feat_corr=featy, feat_absc=featx, data_absc=datax, px_um=px_um) # Compute viscosity if isinstance(medium, numbers.Number): visco = medium if temperature is not None: raise ValueError("If `medium` is given in Pa*s, then " + "`temperature` must be set to None!") if visc_model is not None: warnings.warn("If `medium` is given in Pa*s, then `visc_model` " "must be set to None. An exception will be raised " "in future versions of dclab.", DeprecationWarning) else: visco = get_viscosity(medium=medium, channel_width=channel_width, flow_rate=flow_rate, temperature=temperature, model=visc_model) if isinstance(visco, np.ndarray): # New in dclab 0.20.0: Computation for viscosities array # Convert the input area_um to that of the LUT (deform does not change) scale_kw = {"channel_width_in": channel_width, "channel_width_out": lut_meta["channel_width"], "inplace": False} datax_4lut = scale_feature(feat=featx, data=datax, **scale_kw) deform_4lut = np.array(deform, dtype=float, copy=copy) # Normalize interpolation data such that the spacing for # area and deformation is about the same during interpolation. featx_norm = lut[:, 0].max() normalize(lut[:, 0], featx_norm) normalize(datax_4lut, featx_norm) defo_norm = lut[:, 1].max() normalize(lut[:, 1], defo_norm) normalize(deform_4lut, defo_norm) # Perform interpolation emod = spint.griddata((lut[:, 0], lut[:, 1]), lut[:, 2], (datax_4lut, deform_4lut), method='linear') if extrapolate: # New in dclab 0.23.0: Perform extrapolation outside of the LUT # This is not well-tested and thus discouraged! extrapolate_emodulus(lut=lut, datax=datax_4lut, deform=deform_4lut, emod=emod, deform_norm=defo_norm, inplace=True) # Convert the LUT-interpolated emodulus back backscale_kw = {"channel_width_in": lut_meta["channel_width"], "channel_width_out": channel_width, "flow_rate_in": lut_meta["flow_rate"], "flow_rate_out": flow_rate, "viscosity_in": lut_meta["fluid_viscosity"], "viscosity_out": visco, "inplace": True} # deformation is not scaled (no units) scale_feature(feat=featx, data=datax_4lut, **backscale_kw) scale_emodulus(emod, **backscale_kw) else: # Corrections # We correct the LUT, because it contains less points than # the event data. Furthermore, the lut could be cached # in the future, if this takes up a lot of time. scale_kw = {"channel_width_in": lut_meta["channel_width"], "channel_width_out": channel_width, "flow_rate_in": lut_meta["flow_rate"], "flow_rate_out": flow_rate, "viscosity_in": lut_meta["fluid_viscosity"], "viscosity_out": visco, "inplace": True} # deformation is not scaled (no units) scale_feature(feat=featx, data=lut[:, 0], **scale_kw) scale_emodulus(lut[:, 2], **scale_kw) # Normalize interpolation data such that the spacing for # area and deformation is about the same during interpolation. featx_norm = lut[:, 0].max() normalize(lut[:, 0], featx_norm) normalize(datax, featx_norm) defo_norm = lut[:, 1].max() normalize(lut[:, 1], defo_norm) normalize(deform, defo_norm) # Perform interpolation emod = spint.griddata((lut[:, 0], lut[:, 1]), lut[:, 2], (datax, deform), method='linear') if extrapolate: # New in dclab 0.23.0: Perform extrapolation outside of the LUT # This is not well-tested and thus discouraged! extrapolate_emodulus(lut=lut, datax=datax, deform=deform, emod=emod, deform_norm=defo_norm, inplace=True) # Let the user know when the emodulus contains too many nan values nans = np.sum(np.isnan(emod)) if nans / emod.size > 0.1: warnings.warn("The Young's modulus could not be computed for " + "{:.0f}% of the data. ".format(nans/emod.size*100) + "This is because they are not covered by the " + "look-up table '{}'.".format(lut_data), YoungsModulusLookupTableExceededWarning) return emod
[docs] def normalize(data, dmax): """Perform normalization in-place for interpolation Note that :func:`scipy.interpolate.griddata` has a `rescale` option which rescales the data onto the unit cube. For some reason this does not work well with LUT data, so we just normalize it by dividing by the maximum value. """ assert isinstance(data, np.ndarray) data /= dmax return data