v0.1.0.dev5

Full Changelog: v0.1.0.dev4...v0.1.0.dev5

v0.1.0.dev4

Full Changelog: v0.1.0.dev3...v0.1.0.dev4

v0.1.0.dev3

What's Changed

• ci: fix coverage report generation by @jnooree in #70
• ci: upload docs on PR also by @jnooree in #72
• chore(deps): bump pypa/cibuildwheel from 2.12.3 to 2.13.0 by @dependabot in #76
• chore(deps): bump third-party/abseil-cpp from 68be731 to 8e45685 by @dependabot in #75
• chore(deps): bump third-party/googletest from cb455a7 to 4580469 by @dependabot in #74
• chore(deps): bump third-party/abseil-cpp from 8e45685 to 77ba7ca by @dependabot in #80
• chore(deps): bump third-party/googletest from 4580469 to 06f44bc by @dependabot in #81
• feat(core): implement molecule class by @jnooree in #73
• fix(python): fix segfaults in 3.9 - 3.11 by @jnooree in #84
• chore(deps): bump third-party/googletest from 06f44bc to 65cfeca by @dependabot in #85
• chore(deps): bump third-party/abseil-cpp from 77ba7ca to 1feab4f by @dependabot in #86
• chore(deps): bump third-party/abseil-cpp from 1feab4f to 76548f8 by @dependabot in #91
• chore(deps): bump third-party/googletest from 65cfeca to 9b12f74 by @dependabot in #90
• feat: auto-detection of chemical environment by @jnooree in #92
• chore(deps): bump third-party/googletest from ec4fed9 to be03d00 by @dependabot in #97
• chore(deps): bump third-party/abseil-cpp from 474d21b to b1fb259 by @dependabot in #96
• feat: implement smiles parser by @jnooree in #87
• chore(deps): bump third-party/googletest from be03d00 to 4a1a299 by @dependabot in #101
• chore(deps): bump third-party/abseil-cpp from b1fb259 to 7152f9b by @dependabot in #100
• ci: enable sanitizers for test build by @jnooree in #102
• chore(deps): bump third-party/abseil-cpp from 7152f9b to 5938263 by @dependabot in #103
• chore(deps): bump third-party/googletest from 4a1a299 to cc36671 by @dependabot in #104
• chore(deps): bump actions/upload-pages-artifact from 1 to 2 by @dependabot in #105
• chore(deps): bump pypa/cibuildwheel from 2.13.1 to 2.14.1 by @dependabot in #106
• chore(deps): bump third-party/abseil-cpp from 5938263 to d74b110 by @dependabot in #107
• chore(deps): bump third-party/googletest from cc36671 to 01e1837 by @dependabot in #108
• feat(fmt/mol2): implement mol2 file parser by @jnooree in #110
• chore(deps): bump third-party/abseil-cpp from d74b110 to c9c0fd5 by @dependabot in #112
• chore(deps): bump third-party/googletest from 01e1837 to c875c4e by @dependabot in #111
• ci: test even if actor was dependabot by @jnooree in #118
• chore(deps): bump third-party/abseil-cpp from c9c0fd5 to 70172ad by @dependabot in #116
• chore(deps): bump third-party/googletest from c875c4e to 455fcb7 by @dependabot in #115
• feat(core): support subgraph by @jnooree in #113
• feat: support substructure of Molecule by @jnooree in #120
• chore(deps): bump actions/checkout from 3 to 4 by @dependabot in #130
• chore(deps): bump pypa/cibuildwheel from 2.14.1 to 2.16.2 by @dependabot in #142
• chore(deps): bump third-party/googletest from 455fcb7 to 2dd1c13 by @dependabot in #140
• chore(deps): bump third-party/abseil-cpp from 70172ad to 99bbd7c by @dependabot in #144
• fix(core): update conformer size when adding atoms by @jnooree in #145
• ci: use urllib3 < 2.0 to fix python 3.7 build by @jnooree in #147
• chore(deps): bump clang tools to v16 by @jnooree in #148
• ci: run clang-tidy for all files on main branch or if config changes by @jnooree in #149
• ci: run clang tools directly if run on all files by @jnooree in #150
• chore(deps): bump third-party/abseil-cpp from 99bbd7c to a0b72ad by @dependabot in #151
• chore(deps): bump third-party/googletest from 2dd1c13 to 116b7e5 by @dependabot in #152
• chore(deps): bump actions/setup-node from 3 to 4 by @dependabot in #153
• chore(deps): bump third-party/googletest from 116b7e5 to 5b7fd63 by @dependabot in #154
• chore(deps): bump third-party/abseil-cpp from a0b72ad to 89d2caa by @dependabot in #155
• chore(deps): bump third-party/abseil-cpp from 89d2caa to 1cb3345 by @dependabot in #156
• chore(deps): bump third-party/googletest from 5b7fd63 to b10fad3 by @dependabot in #157
• feat(core): allow merge other molecule/substructure by @jnooree in #158
• feat(fmt/mol2): read SUBSTRUCTURE section if present by @jnooree in #159
• feat(core): add extra properties to atom/bond/molecule/substructure by @jnooree in #161
• refactor(fmt): rework MoleculeStream and create MoleculeReader by @jnooree in #164
• perf(fmt): reuse buffer if possible by @jnooree in #167
• chore(deps): bump third-party/abseil-cpp from 1cb3345 to 483a2d5 by @dependabot in #168
• feat(core): cleanup implementations and refine APIs by @jnooree in #172
• feat(core): support uppercase and lowercase on element lookup by @jnooree in #173
• fix(python): make python logging system robust by @jnooree in #175
• chore(deps): bump third-party/abseil-cpp from 483a2d5 to f393335 by @dependabot in #176
• chore(deps): bump third-party/abseil-cpp from f393335 to 2fca641 by @dependabot in #177
• chore(deps): bump third-party/abseil-cpp from 2fca641 to 8028a87 by @dependabot in #178
• chore(deps): bump third-party/googletest from b10fad3 to 76bb2af by @dependabot in #179
• chore(deps): bump actions/configure-pages from 3 to 4 by @dependabot in #183
• chore(deps): bump actions/setup-python from 4 to 5 by @dependabot in #184
• chore(deps): bump actions/deploy-pages from 2 to 3 by @dependabot in #185
• chore(deps): bump third-party/abseil-cpp from 8028a87 to fad9462 by @dependabot in #181
• chore(deps): bump third-party/googletest from 76bb2af to b3a9ba2 by @dependabot in #182
• feat: rework TransformIterator to support broader operators by @jnooree in #188
• chore(deps): bump the ci-deps group with 2 updates by @dependabot in #190
• chore(deps): bump third-party/googletest from b3a9ba2 to 530d5c8 by @dependabot in #191
• chore(deps): bump third-party/abseil-cpp from fad9462 to 27478af by @dependabot in #192
• Revert "chore(deps): bump the ci-deps group with 2 updates" by @jnooree in #193
• chore(deps): bump third-party/abseil-cpp from 27478af to 8184f16 by @dependabot in #195
• chore(deps): bump third-party/googletest from 530d5c8 to 96eadf6 by @dependabot in #196
• chore(deps): bump third-party/abseil-cpp from 8184f16 to c680be4 by @dependabot in #208
• chore(deps): bump third-party/googletest from 96eadf6 to 4565741 by @dependabot in #207
• feat(algo): support guessing atom/bond properties from geometry by @jnooree in #189
• refactor: use column-major matrix default by @jnooree in #211
• ci: update github actions workflows after upload/download-artifact v4 by @jnooree in #213
• chore(deps): bump the ci-deps group with 1 update by @dependabot in #214
• refactor(core): ...

v0.1.0.dev2

What's Changed

• build: fix version for isolated pip builds by @jnooree in #66
• docs: add status badges by @jnooree in #68

Full Changelog: v0.1.0.dev1...v0.1.0.dev2

v0.1.0.dev1

What's Changed

• chore(deps): bump third-party/abseil-cpp from 3aa3377 to 68be731 by @dependabot in #62
• chore(deps): bump third-party/googletest from bb2941f to cb455a7 by @dependabot in #61
• chore(deps): bump actions/upload-artifact from 2 to 3 by @dependabot in #63
• chore(deps): bump actions/download-artifact from 2 to 3 by @dependabot in #64
• ci: upload python docs to github pages by @jnooree in #60

Full Changelog: v0.1.0.dev0...v0.1.0.dev1

v0.1.0.dev0

What's Changed

• chore: update clang* config by @jnooree in #15
• chore: setup pre-commit hooks by @jnooree in #16
• build: update CMakeLists.txt by @jnooree in #19
• chore: add vscode config files by @jnooree in #21
• ci: create PR review workflow by @jnooree in #22
• ci: run some actions only on non-draft PRs by @jnooree in #24
• docs: update README.md by @jnooree in #25
• ci: split common and c++-related workflows by @jnooree in #27
• chore: add license headers by @jnooree in #28
• test: add googletest by @jnooree in #29
• docs: create CONTRIBUTING.md by @jnooree in #30
• Update issue templates by @jnooree in #31
• docs: create PR and issue templates by @jnooree in #32
• build(deps): bump third-party/googletest from a5308bb to 783d00f by @dependabot in #33
• feat: add graph class by @jnooree in #34
• refactor: move headers into include/ directory by @jnooree in #36
• chore(deps): bump third-party/googletest from 783d00f to 797b0ad by @dependabot in #38
• chore(deps): bump third-party/abseil-cpp from f8bf909 to e9a7eea by @dependabot in #39
• ci: don't run some reviews for dependabot updates by @jnooree in #41
• feat: add node/edge remove functions to graph by @jnooree in #42
• ci: add workflows for main branch by @jnooree in #44
• feat: use std::list for edge list by @jnooree in #48
• chore(deps): bump third-party/googletest from 797b0ad to bc860af by @dependabot in #47
• chore(deps): bump third-party/abseil-cpp from e9a7eea to 419b54d by @dependabot in #46
• chore(deps): bump third-party/googletest from bc860af to bb2941f by @dependabot in #49
• chore(deps): bump third-party/abseil-cpp from 419b54d to 3aa3377 by @dependabot in #50
• feat(core): gather data for elements by @jnooree in #51
• ci: skip clang tools for dependabot updates by @jnooree in #53
• feat(python): create python interface by @jnooree in #57
• ci: create wheels build workflow by @jnooree in #58

New Contributors

• @jnooree made their first contribution in #15
• @dependabot made their first contribution in #33

Full Changelog: https://github.com/seoklab/nurikit/commits/v0.1.0.dev0