From 089a8c2c4b4dc5f462261c0a3ea81e4c58cca1ce Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Sat, 24 Aug 2024 13:47:24 +0200 Subject: [PATCH] Update benchmark --- benchmark.py | 4 +- benchmark.svg | 594 ++++++++++++++++++++----------------------------- pyproject.toml | 3 + 3 files changed, 244 insertions(+), 357 deletions(-) diff --git a/benchmark.py b/benchmark.py index 1c2c043..0e1ed86 100644 --- a/benchmark.py +++ b/benchmark.py @@ -5,8 +5,8 @@ import matplotlib.ticker as ticker import numpy as np import biotite.database.rcsb as rcsb -import biotite.structure.info as info import biotite.structure.io.pdb as pdb +from biotite.structure.info.ccd import get_ccd import fastpdb @@ -17,7 +17,7 @@ # Call this function before the benchmark # to avoid a bias due to the initial loading time -info.bond_dataset() +get_ccd() pdb_file_path = rcsb.fetch(PDB_ID, "pdb", tempfile.gettempdir()) diff --git a/benchmark.svg b/benchmark.svg index 53526aa..b8f7d39 100644 --- a/benchmark.svg +++ b/benchmark.svg @@ -1,23 +1,23 @@ - + - + - 2022-04-28T11:55:52.602501 + 2024-08-24T13:44:58.747389 image/svg+xml - Matplotlib v3.4.3, https://matplotlib.org/ + Matplotlib v3.9.2, https://matplotlib.org/ - + @@ -26,82 +26,82 @@ L 576 288 L 576 0 L 0 0 z -" style="fill:#ffffff;"/> +" style="fill: #ffffff"/> - +" style="fill: #ffffff"/> - +" clip-path="url(#pade42b46ff)" style="fill: #0a6efd; stroke: #000000; stroke-linejoin: miter"/> - +" clip-path="url(#pade42b46ff)" style="fill: #0a6efd; stroke: #000000; stroke-linejoin: miter"/> - +" clip-path="url(#pade42b46ff)" style="fill: #0a6efd; stroke: #000000; stroke-linejoin: miter"/> - +" clip-path="url(#pade42b46ff)" style="fill: #e1301d; stroke: #000000; stroke-linejoin: miter"/> - +" clip-path="url(#pade42b46ff)" style="fill: #e1301d; stroke: #000000; stroke-linejoin: miter"/> - +" clip-path="url(#pade42b46ff)" style="fill: #e1301d; stroke: #000000; stroke-linejoin: miter"/> - +" style="stroke: #000000; stroke-width: 0.8"/> - + - + - - + - + - + +" transform="scale(0.015625)"/> - - + - + +" transform="scale(0.015625)"/> - - - - - - - - - + + + + + + + + + - + - + - - + +" transform="scale(0.015625)"/> - - - - - - - - - + + + + + + + + + - + - + - - + - + +" transform="scale(0.015625)"/> - - - - - - - - - - + + + + + + + + + + @@ -428,19 +428,19 @@ z - +" style="stroke: #000000; stroke-width: 0.8"/> - + - + - - + +" transform="scale(0.015625)"/> - + - + - + - +" transform="scale(0.015625)"/> - + - + - + - +" transform="scale(0.015625)"/> - + - + - + - +" transform="scale(0.015625)"/> - + - + - + - +" transform="scale(0.015625)"/> - + - + - + - +" transform="scale(0.015625)"/> - + - + - + - +" transform="scale(0.015625)"/> - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + - + - - + - + +" transform="scale(0.015625)"/> - - - - - - + + + + + + - + +" style="fill: none; stroke: #000000; stroke-width: 0.8; stroke-linejoin: miter; stroke-linecap: square"/> - +" style="fill: none; stroke: #000000; stroke-width: 0.8; stroke-linejoin: miter; stroke-linecap: square"/> - +" style="fill: none; stroke: #000000; stroke-width: 0.8; stroke-linejoin: miter; stroke-linecap: square"/> - - - + + + - +" transform="scale(0.015625)"/> - - - + + + - - - - - - - + + + + + + + - - - - - - - + + + + + + + + + + - +" style="fill: #0a6efd; stroke: #000000; stroke-linejoin: miter"/> - + - + - - + - + +" transform="scale(0.015625)"/> - - - - - - + + + + + + - +" style="fill: #e1301d; stroke: #000000; stroke-linejoin: miter"/> - + - + - - - - - - + + + + + + - - + + diff --git a/pyproject.toml b/pyproject.toml index 8ebd919..7f90794 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -34,6 +34,9 @@ test = [ "pytest", "pytest-codspeed", ] +plot = [ + "matplotlib", +] [project.urls] homepage = "https://github.com/biotite-dev/fastpdb"