Macromol-voxelize

Feature

* feat: add option to change agg algorithm ([`370ba00`](https://github.com/kalekundert/macromol_voxelize/commit/370ba00e7e8508c981cd356cabbb4d9d17ec7fca))

Documentation

* docs: prepare online documentation ([`bf673ae`](https://github.com/kalekundert/macromol_voxelize/commit/bf673aedb86925c75e75fa2f73f0130797b28911))

* docs: add usage text for pymol commands ([`ba3c895`](https://github.com/kalekundert/macromol_voxelize/commit/ba3c895fe42fa00a701b500db8a52d45a1bbf582))

Feature

* feat: add option to change fill algorithm ([`2cb01fe`](https://github.com/kalekundert/macromol_voxelize/commit/2cb01fe2d886423c90151cf0fe345deb61711849))

* feat: add function to find occupied voxels ([`e35f412`](https://github.com/kalekundert/macromol_voxelize/commit/e35f4123a58595652d2fa3b5b012c81e2fcf81b7))

* feat: tweak pymol command arguments ([`2ac5beb`](https://github.com/kalekundert/macromol_voxelize/commit/2ac5beb6efb5721ee26d30f2f9c8f0a83efbcfb5))

Fix

* fix: don&39;t require numpy.typing ([`a4ae67b`](https://github.com/kalekundert/macromol_voxelize/commit/a4ae67bd35a8571db9d5b7d74267810f432557af))

Feature

* feat: support python 3.8

The rosetta docker image still uses python 3.8, so I need to support it. ([`3b2deab`](https://github.com/kalekundert/macromol_voxelize/commit/3b2deab8d0524f4cc54da406bccc9279cc069ef9))

* feat: add outline argument to load_voxels ([`798e687`](https://github.com/kalekundert/macromol_voxelize/commit/798e6875f0c4b8ed725b1d123d6ed3472d983abe))

* feat: view batched images in pymol ([`5ad859f`](https://github.com/kalekundert/macromol_voxelize/commit/5ad859f28d69202979715270b0ea037c2d83c105))

Fix

* fix: use up-to-date image_from_atoms() API in pymol ([`aadc50e`](https://github.com/kalekundert/macromol_voxelize/commit/aadc50e1bdaa19780339d3794ff9c2cd884b041e))

Test

* test: run PyMOL tests on headless CI servers ([`06d217a`](https://github.com/kalekundert/macromol_voxelize/commit/06d217a6198d5d3b44ad374cbc4d9488eafd5889))

Chore

* chore: pin setuptools for PyPy

This is a work-around for pypa/distutils283 ([`ae2bb42`](https://github.com/kalekundert/macromol_voxelize/commit/ae2bb4259c6374782aa6fa1eff388eaa30fceb03))

* chore: remove C++ coverage for CI

I don&39;t think this ever really worked, and now it&39;s been causing the
build to fail for a while. If I ever want to come back to this, I can
come back to the previous commit to get a good starting point. ([`a1cdb8d`](https://github.com/kalekundert/macromol_voxelize/commit/a1cdb8df5f9e4ffade480da107ea6344c7e0b0d2))

* chore: fix upload of coverage artifacts ([`1411f3b`](https://github.com/kalekundert/macromol_voxelize/commit/1411f3beaba7c8c8087b177b649368783e155f84))

Documentation

* docs: update description of how channels are determined ([`8c06062`](https://github.com/kalekundert/macromol_voxelize/commit/8c06062b723f5c3f0c7524fea728c7ffaede2c33))

Feature

* feat: use file name to name pymol voxel objects ([`dc9fd24`](https://github.com/kalekundert/macromol_voxelize/commit/dc9fd24fcf31a638b66ccfda6dc4caea289ae4a7))

* feat: make an API for pre-filtering atoms

This API replaces the `process_filtered_atoms` callback. After living
with this callback for a while, I ultimately decided that it was awkward
to use, and that exposing separate functions for the filtering and
image-making tasks would be more powerful. ([`5d4683b`](https://github.com/kalekundert/macromol_voxelize/commit/5d4683b8b7098c38dd9413770d539268aeebff2c))

* feat: add option to scale alpha when loading voxels ([`833993e`](https://github.com/kalekundert/macromol_voxelize/commit/833993e79c64792490861339078c408218a1dda6))

* feat: use a better default color scheme ([`fb01d3c`](https://github.com/kalekundert/macromol_voxelize/commit/fb01d3c840fb45c7fe1c27f61bb74df76f5bff95))

* feat: add option to save image being visualized ([`eb95c16`](https://github.com/kalekundert/macromol_voxelize/commit/eb95c16229773a597a21f8941b640ef4939942f6))

Fix

* fix: weight atoms by occupancy when picking channel colors ([`6aaade2`](https://github.com/kalekundert/macromol_voxelize/commit/6aaade27331de142a2a6fbc499957fcc63bda81a))

Test

* test: disable flaky test ([`72700b6`](https://github.com/kalekundert/macromol_voxelize/commit/72700b6a170267936ceb6bb60b72e7e52d804660))

Feature

* feat: render images exported directly from numpy ([`441baaa`](https://github.com/kalekundert/macromol_voxelize/commit/441baaa28e8cc71aa03d0b315631238392cf3692))

* feat: make atom channels from polars expressions ([`3bf2829`](https://github.com/kalekundert/macromol_voxelize/commit/3bf282939d880e90d2f00930ef67e3381c5c8217))

* feat: add option to scale the alpha channel ([`9cc9de8`](https://github.com/kalekundert/macromol_voxelize/commit/9cc9de8574cdfc05d8f9e035f1292a7f578ad261))

Fix

* fix: upgrade to polars 1.0 ([`003a78d`](https://github.com/kalekundert/macromol_voxelize/commit/003a78dd2697ff3adf4958f651eb2bcbdc9f1014))

* fix: allow mmvox and ap to be used together ([`cdeb947`](https://github.com/kalekundert/macromol_voxelize/commit/cdeb947e5af630edfde5ac2e4f9888f516e37a73))

* fix: don&39;t use removed atom channels argument ([`ffa837c`](https://github.com/kalekundert/macromol_voxelize/commit/ffa837c89d9b58d699459cd1a3cbf035c50f3fc0))