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Use rust-based formula dispersion #140

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3 changes: 3 additions & 0 deletions .pylintrc
Original file line number Diff line number Diff line change
Expand Up @@ -612,3 +612,6 @@ variable-naming-style=snake_case
# naming-style. If left empty, variable names will be checked with the set
# naming style.
#variable-rgx=

[MASTER]
extension-pkg-allow-list=formula_dispersion
3 changes: 1 addition & 2 deletions MANIFEST.in
Original file line number Diff line number Diff line change
@@ -1,2 +1 @@
recursive-include src/elli/database/refractiveindexinfo-database *.yml
include src/elli/formula_parser/dispersion_function_grammer.lark
recursive-include src/elli/database/refractiveindexinfo-database *.yml
2 changes: 1 addition & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -29,8 +29,8 @@ dependencies = [
"pyyaml",
"importlib-resources",
"rapidfuzz",
"lark>=1.1.5",
"pint",
"formula-dispersion>=0.1.2",
]

[project.optional-dependencies]
Expand Down
82 changes: 73 additions & 9 deletions requirements/dev-requirements.txt
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
#
# This file is autogenerated by pip-compile with python 3.9
# To update, run:
# This file is autogenerated by pip-compile with Python 3.9
# by the following command:
#
# pip-compile --extra=fitting --extra=testing --generate-hashes --output-file=requirements/dev-requirements.txt pyproject.toml requirements/fitting-requirements.txt
# pip-compile --extra=fitting --extra=testing --generate-hashes --output-file=requirements/dev-requirements.txt --resolver=backtracking pyproject.toml requirements/fitting-requirements.txt
#
appnope==0.1.3 \
--hash=sha256:02bd91c4de869fbb1e1c50aafc4098827a7a54ab2f39d9dcba6c9547ed920e24 \
Expand Down Expand Up @@ -263,6 +263,76 @@ fonttools==4.37.1 \
# via
# -r requirements/fitting-requirements.txt
# matplotlib
formula-dispersion==0.1.2 \
--hash=sha256:0040412ec3a02fc69055e0f4cf8f661350efc56a3fc4ecfdc9284b6d5773a627 \
--hash=sha256:010d89d15cc4a12d92bf0ad95cb14292e59cc1f5654a25e93c3453d4fb8d31c2 \
--hash=sha256:0323e88cd494ea0955f59396ef493c6adfba6f98bd01cf3018b006264689fb5f \
--hash=sha256:05a63bd889460a6edbf463ef695741fabeb29f97af9887ccb53a111e61488da4 \
--hash=sha256:107f9446863ee7d1422c54ea38b4d2cbffcfc7f1c8aa521a1fc631444299a7ea \
--hash=sha256:10e5cc18cc57923048e52b03a6bf27a898d1e8f7f82345a9e5cfac563f788a66 \
--hash=sha256:189582669edf2d474e19299b896e73e2699a0d734d73a7ab102789b84701225a \
--hash=sha256:192f2fbecf74b8fd4abfda23bd3382e24cfd04dd32272ecb86b5b997c026e1e4 \
--hash=sha256:1abe27cc65d18951db941d49426d28630920b1e7f4e8588eb49df1a1705fb57d \
--hash=sha256:1af600397418a8a26a2173e972496f0e80bcd1cb361693908ba37389adbdc689 \
--hash=sha256:22f3820d3f574cdc1f85e81ec06fd67e127fc73688c6d375d5399cea83996d08 \
--hash=sha256:24ff7173d2b02e4fcc0cb4598aad16651b0b2edbdc88275b59daf7fc9ae65385 \
--hash=sha256:251fba322893483070a88efe461cb74589a70f9a2b8b21b9c135e52f7c4e955a \
--hash=sha256:33377d49127895c035b73b9e87dd6a91e7e675c65db45e71a5fada624b19b526 \
--hash=sha256:34a9648bc48fea0e41729f4d53fda57b8e1342642f0a136480bb58f1822b0773 \
--hash=sha256:41f0ef4442f3ea175949d6bf9e7c924d3522e6acc3ed0cd8a45f413a3e284766 \
--hash=sha256:49360258d9c7ccddb313d78d42adb1bd2ceb824e79543f4bf0a287a4f88c05d5 \
--hash=sha256:4b11e904adee624b75b3c617af019c5b8247e4310664aee5d08ec9946a837934 \
--hash=sha256:50745c714123e20c1b23b3c4c80f4f8875ebe717ed16c77146f8623159e081c1 \
--hash=sha256:53bb34a1906cf6e61b6eae81fed3c0eab4e4ec2235a4be9931748c6f52c378e6 \
--hash=sha256:548628e639e1304567fa129e502f2196bb56937fc3d30893295ca99b76d43482 \
--hash=sha256:56867f3660dbc8b413bd5a5ca32343d39b81797643f8dbea92fed19915fe32d6 \
--hash=sha256:5983a96237660428d8d748000c9c0f0c73602360a2f9670e0212563e14e520fe \
--hash=sha256:5bd4a311c4101dca13de23d081c36a384ac7c2186395b00e9660d8b829ef3dd1 \
--hash=sha256:6420ef098b3a20b5466d9bd1b03e43deabaedb3907362332a3fbdd2ee0e2ac50 \
--hash=sha256:6547d5ccb8706790e81bc9f5e5886915317e2b150d3e2cdc552eb3e162fe4a23 \
--hash=sha256:692cba1fe033328c88afa54c0176773c797fa8de2699dba53242a676291fa29e \
--hash=sha256:6b7365a1498559f5183721a40bf0ce99a8e340264e8e50cb28fad5f0a1ac2f9e \
--hash=sha256:7287d0f339d64458a444f91142cc5a2bbe2b19217ea67bd2860a43a52a92c02d \
--hash=sha256:7775ade7579c91cd3895823899bbe57491ece9f4e6e409b9623b02616a93d64d \
--hash=sha256:79d2d0b7156065cebc4323a9426fff139da37b80cad9b1501ed2525ebc88e955 \
--hash=sha256:7cce3d64a7870e6ff959b26a1321a2f2d6a09717c27ee9f8cc142b127bf16042 \
--hash=sha256:819abae0187337c6871996a1304927329383bc606251ad88e1bd51c31569f924 \
--hash=sha256:82ebde297209caeb48d095798d989f59af477fa386d97db5d0b7caeb866dd3f4 \
--hash=sha256:8f699319475817577ddbb38c62f87e57fd7f7a89657332f3cbe58f27f903dcd4 \
--hash=sha256:8f73fc3b166df8e23514657c6594c1260268e86106b12dad271f1f393617d0ec \
--hash=sha256:914a42a1cd3fe46705156c59e1db33db2b88545df49732aa8822f286046d82cc \
--hash=sha256:9eaef7070ccd955a96bd227ee6b3d6609ae9203f0f3c0abe831cf2b4baf28846 \
--hash=sha256:a0e7e43f0ff849e089e452f244cf20d3ea3b251bed76416832edc5dc6d6e7663 \
--hash=sha256:a55273aca55fcaa7f8f57d39ab3ad7b25540ca4fb2666f7eab7759f21f1dc19e \
--hash=sha256:a8deb1743282d86b1aebfc77b35aaba2b6bd7a46a2e16539fdd2811cd5320a84 \
--hash=sha256:aa56ea82b13f128eca27cc093d7ba1240d05abf5bfd77874abe4865fca0855ad \
--hash=sha256:aa7b2346af62700719a6a2dc200e8db77488bd3616a853b9141b52c8800a0b84 \
--hash=sha256:bf83c2ea18667ce30ce489827f3fe3108d4fa7e6dea37023ca8e3a2a8d6a6743 \
--hash=sha256:bfde9e5f5d6680ac5824c3f66138f777ca65a451357be6775c91367697a6271d \
--hash=sha256:c6ec4f997ae2b3477bd50d1e714934c4e0a7344d61c8ce7c2e2876ae1d37d15d \
--hash=sha256:c790268dcfc9a1141e0e488a5b8570184e61fbc2fa5c0cfeb9c0b1beb56261f5 \
--hash=sha256:c825540673ff7b36cfcec27084d5fab6385b8075c1ee2592479f044f37053e56 \
--hash=sha256:c8bce86dcaa9547052f538d02e8c4fe2f1f5a3b957075caf1fa7798255ef3af1 \
--hash=sha256:ca89ee345248965002462160c9d7c4bce10be69e970a4e5cee85166b526927d2 \
--hash=sha256:cd7e6065de65e3771b397e8a547d1aaf14b56f64ce313c9020f51c365ccfd9d7 \
--hash=sha256:cdc7c5b00002ca98da20ccdd2d7e8ff3af26a41e33d760f3c06ff1456bfc6cdd \
--hash=sha256:cfd92df86e7419111fc2029355b9483c4b46084016427f43e5106ce9ed9e5862 \
--hash=sha256:d1ae6404a879549a67dc30774b0381dd14159d83cd3f3156956cce045c950cad \
--hash=sha256:d2d831b5fe7c8009b4b2821be5c665d38da186d90afdac5cc28877a42e949766 \
--hash=sha256:d9051b73be64a8e2f6044f3ec1364835cb21414d0ba261ea4b68a7f81865776e \
--hash=sha256:d9378e63867c473c894d69affe0c70f5322bf2fd48bd27b5d0f612b48dee947b \
--hash=sha256:d98db634abd5a112449c257a991389ee3fd5a9f328a37daf425a7e7e20c55a93 \
--hash=sha256:d998142f4dc5f801c9bf1a77eca12e3a1323142530d96438eaa2c0871c514261 \
--hash=sha256:db3bd0cdfd48a47e1a3c888a00e2f88b5970b5422addd44913063d56b4316cc7 \
--hash=sha256:dff82baf856ae5433976a9c94bae3b921a04465951c885feeae4ed678d3e004a \
--hash=sha256:e0e009ad5372af3e29f1f17141a76bec54101a6e3ded33e07447aca1042c05ca \
--hash=sha256:e70de7fd86f817ed3f994c868199b66591fd17143bbfba8a60b51420cd09a197 \
--hash=sha256:e9bd52c9a6313e97a94f3065804d46942275ed518213353c7c4f1d5c88fcf87b \
--hash=sha256:ebc6a294ed7d085a1eb41d5a94c89b1e325e363d136774b35c3c73b5e3a4bdcb \
--hash=sha256:fdcc3c06b0e20185376047bfa40b80c5b0a9b8623a8936b3f56f8ae1984c7b73
# via
# -r requirements/fitting-requirements.txt
# pyElli (pyproject.toml)
future==0.18.3 \
--hash=sha256:34a17436ed1e96697a86f9de3d15a3b0be01d8bc8de9c1dffd59fb8234ed5307
# via
Expand Down Expand Up @@ -457,12 +527,6 @@ kiwisolver==1.4.4 \
# via
# -r requirements/fitting-requirements.txt
# matplotlib
lark==1.1.5 \
--hash=sha256:4b534eae1f9af5b4ea000bea95776350befe1981658eea3820a01c37e504bb4d \
--hash=sha256:8476f9903e93fbde4f6c327f74d79e9b4bd0ed9294c5dfa3164ab8c581b5de2a
# via
# -r requirements/fitting-requirements.txt
# pyElli (pyproject.toml)
lmfit==1.0.3 \
--hash=sha256:d067c3ea501f035af5d3c079e6e6e35dc3cc1ac7d439429a425b0aeb5a7858a2
# via
Expand Down
82 changes: 73 additions & 9 deletions requirements/fitting-requirements.txt
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
#
# This file is autogenerated by pip-compile with python 3.9
# To update, run:
# This file is autogenerated by pip-compile with Python 3.9
# by the following command:
#
# pip-compile --extra=fitting --generate-hashes --output-file=requirements/fitting-requirements.txt pyproject.toml requirements/requirements.txt
# pip-compile --extra=fitting --generate-hashes --output-file=requirements/fitting-requirements.txt --resolver=backtracking pyproject.toml requirements/requirements.txt
#
appnope==0.1.3 \
--hash=sha256:02bd91c4de869fbb1e1c50aafc4098827a7a54ab2f39d9dcba6c9547ed920e24 \
Expand Down Expand Up @@ -175,6 +175,76 @@ fonttools==4.37.1 \
--hash=sha256:4606e1a88ee1f6699d182fea9511bd9a8a915d913eab4584e5226da1180fcce7 \
--hash=sha256:fff6b752e326c15756c819fe2fe7ceab69f96a1dbcfe8911d0941cdb49905007
# via matplotlib
formula-dispersion==0.1.2 \
--hash=sha256:0040412ec3a02fc69055e0f4cf8f661350efc56a3fc4ecfdc9284b6d5773a627 \
--hash=sha256:010d89d15cc4a12d92bf0ad95cb14292e59cc1f5654a25e93c3453d4fb8d31c2 \
--hash=sha256:0323e88cd494ea0955f59396ef493c6adfba6f98bd01cf3018b006264689fb5f \
--hash=sha256:05a63bd889460a6edbf463ef695741fabeb29f97af9887ccb53a111e61488da4 \
--hash=sha256:107f9446863ee7d1422c54ea38b4d2cbffcfc7f1c8aa521a1fc631444299a7ea \
--hash=sha256:10e5cc18cc57923048e52b03a6bf27a898d1e8f7f82345a9e5cfac563f788a66 \
--hash=sha256:189582669edf2d474e19299b896e73e2699a0d734d73a7ab102789b84701225a \
--hash=sha256:192f2fbecf74b8fd4abfda23bd3382e24cfd04dd32272ecb86b5b997c026e1e4 \
--hash=sha256:1abe27cc65d18951db941d49426d28630920b1e7f4e8588eb49df1a1705fb57d \
--hash=sha256:1af600397418a8a26a2173e972496f0e80bcd1cb361693908ba37389adbdc689 \
--hash=sha256:22f3820d3f574cdc1f85e81ec06fd67e127fc73688c6d375d5399cea83996d08 \
--hash=sha256:24ff7173d2b02e4fcc0cb4598aad16651b0b2edbdc88275b59daf7fc9ae65385 \
--hash=sha256:251fba322893483070a88efe461cb74589a70f9a2b8b21b9c135e52f7c4e955a \
--hash=sha256:33377d49127895c035b73b9e87dd6a91e7e675c65db45e71a5fada624b19b526 \
--hash=sha256:34a9648bc48fea0e41729f4d53fda57b8e1342642f0a136480bb58f1822b0773 \
--hash=sha256:41f0ef4442f3ea175949d6bf9e7c924d3522e6acc3ed0cd8a45f413a3e284766 \
--hash=sha256:49360258d9c7ccddb313d78d42adb1bd2ceb824e79543f4bf0a287a4f88c05d5 \
--hash=sha256:4b11e904adee624b75b3c617af019c5b8247e4310664aee5d08ec9946a837934 \
--hash=sha256:50745c714123e20c1b23b3c4c80f4f8875ebe717ed16c77146f8623159e081c1 \
--hash=sha256:53bb34a1906cf6e61b6eae81fed3c0eab4e4ec2235a4be9931748c6f52c378e6 \
--hash=sha256:548628e639e1304567fa129e502f2196bb56937fc3d30893295ca99b76d43482 \
--hash=sha256:56867f3660dbc8b413bd5a5ca32343d39b81797643f8dbea92fed19915fe32d6 \
--hash=sha256:5983a96237660428d8d748000c9c0f0c73602360a2f9670e0212563e14e520fe \
--hash=sha256:5bd4a311c4101dca13de23d081c36a384ac7c2186395b00e9660d8b829ef3dd1 \
--hash=sha256:6420ef098b3a20b5466d9bd1b03e43deabaedb3907362332a3fbdd2ee0e2ac50 \
--hash=sha256:6547d5ccb8706790e81bc9f5e5886915317e2b150d3e2cdc552eb3e162fe4a23 \
--hash=sha256:692cba1fe033328c88afa54c0176773c797fa8de2699dba53242a676291fa29e \
--hash=sha256:6b7365a1498559f5183721a40bf0ce99a8e340264e8e50cb28fad5f0a1ac2f9e \
--hash=sha256:7287d0f339d64458a444f91142cc5a2bbe2b19217ea67bd2860a43a52a92c02d \
--hash=sha256:7775ade7579c91cd3895823899bbe57491ece9f4e6e409b9623b02616a93d64d \
--hash=sha256:79d2d0b7156065cebc4323a9426fff139da37b80cad9b1501ed2525ebc88e955 \
--hash=sha256:7cce3d64a7870e6ff959b26a1321a2f2d6a09717c27ee9f8cc142b127bf16042 \
--hash=sha256:819abae0187337c6871996a1304927329383bc606251ad88e1bd51c31569f924 \
--hash=sha256:82ebde297209caeb48d095798d989f59af477fa386d97db5d0b7caeb866dd3f4 \
--hash=sha256:8f699319475817577ddbb38c62f87e57fd7f7a89657332f3cbe58f27f903dcd4 \
--hash=sha256:8f73fc3b166df8e23514657c6594c1260268e86106b12dad271f1f393617d0ec \
--hash=sha256:914a42a1cd3fe46705156c59e1db33db2b88545df49732aa8822f286046d82cc \
--hash=sha256:9eaef7070ccd955a96bd227ee6b3d6609ae9203f0f3c0abe831cf2b4baf28846 \
--hash=sha256:a0e7e43f0ff849e089e452f244cf20d3ea3b251bed76416832edc5dc6d6e7663 \
--hash=sha256:a55273aca55fcaa7f8f57d39ab3ad7b25540ca4fb2666f7eab7759f21f1dc19e \
--hash=sha256:a8deb1743282d86b1aebfc77b35aaba2b6bd7a46a2e16539fdd2811cd5320a84 \
--hash=sha256:aa56ea82b13f128eca27cc093d7ba1240d05abf5bfd77874abe4865fca0855ad \
--hash=sha256:aa7b2346af62700719a6a2dc200e8db77488bd3616a853b9141b52c8800a0b84 \
--hash=sha256:bf83c2ea18667ce30ce489827f3fe3108d4fa7e6dea37023ca8e3a2a8d6a6743 \
--hash=sha256:bfde9e5f5d6680ac5824c3f66138f777ca65a451357be6775c91367697a6271d \
--hash=sha256:c6ec4f997ae2b3477bd50d1e714934c4e0a7344d61c8ce7c2e2876ae1d37d15d \
--hash=sha256:c790268dcfc9a1141e0e488a5b8570184e61fbc2fa5c0cfeb9c0b1beb56261f5 \
--hash=sha256:c825540673ff7b36cfcec27084d5fab6385b8075c1ee2592479f044f37053e56 \
--hash=sha256:c8bce86dcaa9547052f538d02e8c4fe2f1f5a3b957075caf1fa7798255ef3af1 \
--hash=sha256:ca89ee345248965002462160c9d7c4bce10be69e970a4e5cee85166b526927d2 \
--hash=sha256:cd7e6065de65e3771b397e8a547d1aaf14b56f64ce313c9020f51c365ccfd9d7 \
--hash=sha256:cdc7c5b00002ca98da20ccdd2d7e8ff3af26a41e33d760f3c06ff1456bfc6cdd \
--hash=sha256:cfd92df86e7419111fc2029355b9483c4b46084016427f43e5106ce9ed9e5862 \
--hash=sha256:d1ae6404a879549a67dc30774b0381dd14159d83cd3f3156956cce045c950cad \
--hash=sha256:d2d831b5fe7c8009b4b2821be5c665d38da186d90afdac5cc28877a42e949766 \
--hash=sha256:d9051b73be64a8e2f6044f3ec1364835cb21414d0ba261ea4b68a7f81865776e \
--hash=sha256:d9378e63867c473c894d69affe0c70f5322bf2fd48bd27b5d0f612b48dee947b \
--hash=sha256:d98db634abd5a112449c257a991389ee3fd5a9f328a37daf425a7e7e20c55a93 \
--hash=sha256:d998142f4dc5f801c9bf1a77eca12e3a1323142530d96438eaa2c0871c514261 \
--hash=sha256:db3bd0cdfd48a47e1a3c888a00e2f88b5970b5422addd44913063d56b4316cc7 \
--hash=sha256:dff82baf856ae5433976a9c94bae3b921a04465951c885feeae4ed678d3e004a \
--hash=sha256:e0e009ad5372af3e29f1f17141a76bec54101a6e3ded33e07447aca1042c05ca \
--hash=sha256:e70de7fd86f817ed3f994c868199b66591fd17143bbfba8a60b51420cd09a197 \
--hash=sha256:e9bd52c9a6313e97a94f3065804d46942275ed518213353c7c4f1d5c88fcf87b \
--hash=sha256:ebc6a294ed7d085a1eb41d5a94c89b1e325e363d136774b35c3c73b5e3a4bdcb \
--hash=sha256:fdcc3c06b0e20185376047bfa40b80c5b0a9b8623a8936b3f56f8ae1984c7b73
# via
# -r requirements/requirements.txt
# pyElli (pyproject.toml)
future==0.18.3 \
--hash=sha256:34a17436ed1e96697a86f9de3d15a3b0be01d8bc8de9c1dffd59fb8234ed5307
# via uncertainties
Expand Down Expand Up @@ -342,12 +412,6 @@ kiwisolver==1.4.4 \
--hash=sha256:f8ad8285b01b0d4695102546b342b493b3ccc6781fc28c8c6a1bb63e95d22f09 \
--hash=sha256:f9f39e2f049db33a908319cf46624a569b36983c7c78318e9726a4cb8923b26c
# via matplotlib
lark==1.1.5 \
--hash=sha256:4b534eae1f9af5b4ea000bea95776350befe1981658eea3820a01c37e504bb4d \
--hash=sha256:8476f9903e93fbde4f6c327f74d79e9b4bd0ed9294c5dfa3164ab8c581b5de2a
# via
# -r requirements/requirements.txt
# pyElli (pyproject.toml)
lmfit==1.0.3 \
--hash=sha256:d067c3ea501f035af5d3c079e6e6e35dc3cc1ac7d439429a425b0aeb5a7858a2
# via pyElli (pyproject.toml)
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