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spdist: Simple metrics for comparing the distance between two curves.

spdist is a simple metrics for comparing the distance between two given curves. The curves can be passed in as a numpy array with discrete values. It will interpolate between the values and calculate the minimum distance between each points in the curve and reference curve.

pip install spdist

How to use.

Currently spdist has only one function spdist.

import spdist
import numpy as np

x = np.linspace(0, 10, 100)
y = 2*x

x_ref = x
y_ref = 2*x + 1

distance = spdist.spdist(x,y,x_ref,y_ref)

print(f"{distance}")

Example plot

Following example plot a straight line $y = 2x$ and a line with a constant offset. The distance between the two lines is calculated using the spdist function. The normal vector is calculated as $(2/\sqrt{5}, -1/\sqrt{5})$. Normal vector scaled by the distance is plot green line.

test

Algorithm

The algorithm of the caculation is somewhat brute force and the time complexity is $O(n^2)$. The algorithm is as follows:

distance = 0

for i in zip(x,y):

  tmp_distance = 0
  for j in zip(x_ref, y_ref):
    if (x_ref == x_ref_next) and (y_ref == y_ref_next):
        # point to point distance
        tmp_distance = min(tmp_distance, ((x - x_ref)**2 + (y - y_ref)**2)**0.5)
        continue
    # point to line distance
    # https://en.wikipedia.org/wiki/Distance_from_a_point_to_a_line#Line_defined_by_two_points
    tmp_distance = min(tmp_distance, ((x_ref_next - x_ref) * (y_ref - y) - (x_ref - x) * (y_ref_next - y_ref)) / ((x_ref_next - x_ref)**2 + (y_ref_next - y_ref)**2)**0.5)

  distance += tmp_distance

distance /= len(x)

Although the algorithm itself is not optimized, the whole library is written in Rust Rust with parallel processing. (Thanks to Rust's borrow checker and rayon rayon, which is both great work.) Therefore, the calculation is fast enough.

Where to use

This library was originally developed to calculate the distance between the measured spectra and the reference spectra of XAS. The metrics is useful to quantify and capture the features of the spectra.

Metadata

Release files for spdist 0.1.3

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for spdist 0.1.3
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spdist-0.1.3.tar.gz 96.0 kB Details

Built distributions (wheels)

Table of built distributions (wheels) for spdist 0.1.3
File
spdist-0.1.3-pp310-pypy310_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl PyPy 3.10 PyPy 3.10 7.3 Linux glibc 2.17+ x86-64 Details
spdist-0.1.3-pp310-pypy310_pp73-manylinux_2_17_s390x.manylinux2014_s390x.whl PyPy 3.10 PyPy 3.10 7.3 Linux glibc 2.17+ IBM System/390x Details
spdist-0.1.3-pp310-pypy310_pp73-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl PyPy 3.10 PyPy 3.10 7.3 Linux glibc 2.17+ PowerPC 64-le Details
spdist-0.1.3-pp310-pypy310_pp73-manylinux_2_17_armv7l.manylinux2014_armv7l.whl PyPy 3.10 PyPy 3.10 7.3 Linux glibc 2.17+ ARMv7l Details
spdist-0.1.3-pp310-pypy310_pp73-manylinux_2_17_aarch64.manylinux2014_aarch64.whl PyPy 3.10 PyPy 3.10 7.3 Linux glibc 2.17+ ARM64 Details
spdist-0.1.3-pp310-pypy310_pp73-manylinux_2_12_i686.manylinux2010_i686.whl PyPy 3.10 PyPy 3.10 7.3 Linux glibc 2.12+ x86-32 Details
spdist-0.1.3-pp39-pypy39_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl PyPy 3.9 PyPy 3.9 7.3 Linux glibc 2.17+ x86-64 Details
spdist-0.1.3-pp39-pypy39_pp73-manylinux_2_17_s390x.manylinux2014_s390x.whl PyPy 3.9 PyPy 3.9 7.3 Linux glibc 2.17+ IBM System/390x Details
spdist-0.1.3-pp39-pypy39_pp73-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl PyPy 3.9 PyPy 3.9 7.3 Linux glibc 2.17+ PowerPC 64-le Details
spdist-0.1.3-pp39-pypy39_pp73-manylinux_2_17_armv7l.manylinux2014_armv7l.whl PyPy 3.9 PyPy 3.9 7.3 Linux glibc 2.17+ ARMv7l Details
spdist-0.1.3-pp39-pypy39_pp73-manylinux_2_17_aarch64.manylinux2014_aarch64.whl PyPy 3.9 PyPy 3.9 7.3 Linux glibc 2.17+ ARM64 Details
spdist-0.1.3-pp39-pypy39_pp73-manylinux_2_12_i686.manylinux2010_i686.whl PyPy 3.9 PyPy 3.9 7.3 Linux glibc 2.12+ x86-32 Details
spdist-0.1.3-pp38-pypy38_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl PyPy 3.8 PyPy 3.8 7.3 Linux glibc 2.17+ x86-64 Details
spdist-0.1.3-pp38-pypy38_pp73-manylinux_2_17_s390x.manylinux2014_s390x.whl PyPy 3.8 PyPy 3.8 7.3 Linux glibc 2.17+ IBM System/390x Details
spdist-0.1.3-pp38-pypy38_pp73-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl PyPy 3.8 PyPy 3.8 7.3 Linux glibc 2.17+ PowerPC 64-le Details
spdist-0.1.3-pp38-pypy38_pp73-manylinux_2_17_armv7l.manylinux2014_armv7l.whl PyPy 3.8 PyPy 3.8 7.3 Linux glibc 2.17+ ARMv7l Details
spdist-0.1.3-pp38-pypy38_pp73-manylinux_2_17_aarch64.manylinux2014_aarch64.whl PyPy 3.8 PyPy 3.8 7.3 Linux glibc 2.17+ ARM64 Details
spdist-0.1.3-pp38-pypy38_pp73-manylinux_2_12_i686.manylinux2010_i686.whl PyPy 3.8 PyPy 3.8 7.3 Linux glibc 2.12+ x86-32 Details
spdist-0.1.3-cp313-cp313-manylinux_2_17_s390x.manylinux2014_s390x.whl CPython 3.13 CPython 3.13 Linux glibc 2.17+ IBM System/390x Details
spdist-0.1.3-cp313-cp313-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl CPython 3.13 CPython 3.13 Linux glibc 2.17+ PowerPC 64-le Details
spdist-0.1.3-cp313-cp313-manylinux_2_17_armv7l.manylinux2014_armv7l.whl CPython 3.13 CPython 3.13 Linux glibc 2.17+ ARMv7l Details
spdist-0.1.3-cp313-cp313-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.13 CPython 3.13 Linux glibc 2.17+ ARM64 Details
spdist-0.1.3-cp312-none-win_amd64.whl CPython 3.12 none Windows x86-64 Details
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spdist-0.1.3-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.12 CPython 3.12 Linux glibc 2.17+ x86-64 Details
spdist-0.1.3-cp312-cp312-manylinux_2_17_s390x.manylinux2014_s390x.whl CPython 3.12 CPython 3.12 Linux glibc 2.17+ IBM System/390x Details
spdist-0.1.3-cp312-cp312-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl CPython 3.12 CPython 3.12 Linux glibc 2.17+ PowerPC 64-le Details
spdist-0.1.3-cp312-cp312-manylinux_2_17_armv7l.manylinux2014_armv7l.whl CPython 3.12 CPython 3.12 Linux glibc 2.17+ ARMv7l Details
spdist-0.1.3-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.12 CPython 3.12 Linux glibc 2.17+ ARM64 Details
spdist-0.1.3-cp312-cp312-manylinux_2_12_i686.manylinux2010_i686.whl CPython 3.12 CPython 3.12 Linux glibc 2.12+ x86-32 Details
spdist-0.1.3-cp312-cp312-macosx_11_0_arm64.whl CPython 3.12 CPython 3.12 macOS 11.0+ ARM64 Details
spdist-0.1.3-cp312-cp312-macosx_10_12_x86_64.whl CPython 3.12 CPython 3.12 macOS 10.12+ x86-64 Details
spdist-0.1.3-cp311-none-win_amd64.whl CPython 3.11 none Windows x86-64 Details
spdist-0.1.3-cp311-none-win32.whl CPython 3.11 none Windows x86-32 Details
spdist-0.1.3-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.11 CPython 3.11 Linux glibc 2.17+ x86-64 Details
spdist-0.1.3-cp311-cp311-manylinux_2_17_s390x.manylinux2014_s390x.whl CPython 3.11 CPython 3.11 Linux glibc 2.17+ IBM System/390x Details
spdist-0.1.3-cp311-cp311-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl CPython 3.11 CPython 3.11 Linux glibc 2.17+ PowerPC 64-le Details
spdist-0.1.3-cp311-cp311-manylinux_2_17_armv7l.manylinux2014_armv7l.whl CPython 3.11 CPython 3.11 Linux glibc 2.17+ ARMv7l Details
spdist-0.1.3-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.11 CPython 3.11 Linux glibc 2.17+ ARM64 Details
spdist-0.1.3-cp311-cp311-manylinux_2_12_i686.manylinux2010_i686.whl CPython 3.11 CPython 3.11 Linux glibc 2.12+ x86-32 Details
spdist-0.1.3-cp311-cp311-macosx_11_0_arm64.whl CPython 3.11 CPython 3.11 macOS 11.0+ ARM64 Details
spdist-0.1.3-cp311-cp311-macosx_10_12_x86_64.whl CPython 3.11 CPython 3.11 macOS 10.12+ x86-64 Details
spdist-0.1.3-cp310-none-win_amd64.whl CPython 3.10 none Windows x86-64 Details
spdist-0.1.3-cp310-none-win32.whl CPython 3.10 none Windows x86-32 Details
spdist-0.1.3-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.10 CPython 3.10 Linux glibc 2.17+ x86-64 Details
spdist-0.1.3-cp310-cp310-manylinux_2_17_s390x.manylinux2014_s390x.whl CPython 3.10 CPython 3.10 Linux glibc 2.17+ IBM System/390x Details
spdist-0.1.3-cp310-cp310-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl CPython 3.10 CPython 3.10 Linux glibc 2.17+ PowerPC 64-le Details
spdist-0.1.3-cp310-cp310-manylinux_2_17_armv7l.manylinux2014_armv7l.whl CPython 3.10 CPython 3.10 Linux glibc 2.17+ ARMv7l Details
spdist-0.1.3-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.10 CPython 3.10 Linux glibc 2.17+ ARM64 Details
spdist-0.1.3-cp310-cp310-manylinux_2_12_i686.manylinux2010_i686.whl CPython 3.10 CPython 3.10 Linux glibc 2.12+ x86-32 Details
spdist-0.1.3-cp310-cp310-macosx_11_0_arm64.whl CPython 3.10 CPython 3.10 macOS 11.0+ ARM64 Details
spdist-0.1.3-cp310-cp310-macosx_10_12_x86_64.whl CPython 3.10 CPython 3.10 macOS 10.12+ x86-64 Details
spdist-0.1.3-cp39-none-win_amd64.whl CPython 3.9 none Windows x86-64 Details
spdist-0.1.3-cp39-none-win32.whl CPython 3.9 none Windows x86-32 Details
spdist-0.1.3-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.9 CPython 3.9 Linux glibc 2.17+ x86-64 Details
spdist-0.1.3-cp39-cp39-manylinux_2_17_s390x.manylinux2014_s390x.whl CPython 3.9 CPython 3.9 Linux glibc 2.17+ IBM System/390x Details
spdist-0.1.3-cp39-cp39-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl CPython 3.9 CPython 3.9 Linux glibc 2.17+ PowerPC 64-le Details
spdist-0.1.3-cp39-cp39-manylinux_2_17_armv7l.manylinux2014_armv7l.whl CPython 3.9 CPython 3.9 Linux glibc 2.17+ ARMv7l Details
spdist-0.1.3-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.9 CPython 3.9 Linux glibc 2.17+ ARM64 Details
spdist-0.1.3-cp39-cp39-manylinux_2_12_i686.manylinux2010_i686.whl CPython 3.9 CPython 3.9 Linux glibc 2.12+ x86-32 Details
spdist-0.1.3-cp38-none-win_amd64.whl CPython 3.8 none Windows x86-64 Details
spdist-0.1.3-cp38-none-win32.whl CPython 3.8 none Windows x86-32 Details
spdist-0.1.3-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.8 CPython 3.8 Linux glibc 2.17+ x86-64 Details
spdist-0.1.3-cp38-cp38-manylinux_2_17_s390x.manylinux2014_s390x.whl CPython 3.8 CPython 3.8 Linux glibc 2.17+ IBM System/390x Details
spdist-0.1.3-cp38-cp38-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl CPython 3.8 CPython 3.8 Linux glibc 2.17+ PowerPC 64-le Details
spdist-0.1.3-cp38-cp38-manylinux_2_17_armv7l.manylinux2014_armv7l.whl CPython 3.8 CPython 3.8 Linux glibc 2.17+ ARMv7l Details
spdist-0.1.3-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.8 CPython 3.8 Linux glibc 2.17+ ARM64 Details
spdist-0.1.3-cp38-cp38-manylinux_2_12_i686.manylinux2010_i686.whl CPython 3.8 CPython 3.8 Linux glibc 2.12+ x86-32 Details

Total release size: 68.3 MB

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