py-ruvseq-omicverse 0.1.0__py3-none-any.whl

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+ Metadata-Version: 2.4
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+ Name: py-ruvseq-omicverse
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+ Version: 0.1.0
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+ Summary: Reference-validated py-RUVSeq algorithm subset
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+ License: Artistic License 2.0
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+
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+ Copyright (c) 2000-2006, The Perl Foundation.
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+
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+ Everyone is permitted to copy and distribute verbatim copies of this
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+ "Compiled" form means the compiled bytecode, object code, binary, or any
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+ Distribution of Modified Versions of the Package as Source
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+ Distribution of Compiled Forms of the Standard Version or Modified
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+ (6) You may Distribute a Modified Version in Compiled form without the
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+ Source of the Modified Version.
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+ (7) You may aggregate the Package (either the Standard Version or
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+ Modified Version) with other packages and Distribute the resulting
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+ Package. Distributor Fees are permitted, and licensing fees for other
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+ apply to the use and Distribution of the Standard or Modified Versions
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+ as included in the aggregation.
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+ (8) You are permitted to link Modified and Standard Versions with other
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+ works, to embed the Package in a larger work of your own, or to build
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+ stand-alone binary or bytecode versions of applications that include the
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+ Package, and Distribute the result without restriction, provided the
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+ result does not expose a direct interface to the Package.
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+ Items That are Not Considered Part of a Modified Version
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+ ********************************************************
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+
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+ (9) Works (including, but not limited to, modules and scripts) that
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+ merely extend or make use of the Package, do not, by themselves, cause
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+ the Package to be a Modified Version. In addition, such works are not
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+ considered parts of the Package itself, and are not subject to the terms
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+ of this license.
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+
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+ General Provisions
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+ ******************
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+
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+ (10) Any use, modification, and distribution of the Standard or Modified
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+ Versions is governed by this Artistic License. By using, modifying or
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+ distributing the Package, you accept this license. Do not use, modify,
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+ or distribute the Package, if you do not accept this license.
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+
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+ (11) If your Modified Version has been derived from a Modified Version
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+ made by someone other than you, you are nevertheless required to ensure
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+ that your Modified Version complies with the requirements of this
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+ license.
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+
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+ (12) This license does not grant you the right to use any trademark,
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+ service mark, tradename, or logo of the Copyright Holder.
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+
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+ (13) This license includes the non-exclusive, worldwide, free-of-charge
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+ patent license to make, have made, use, offer to sell, sell, import and
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+ otherwise transfer the Package with respect to any patent claims
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+ licensable by the Copyright Holder that are necessarily infringed by the
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+ Package. If you institute patent litigation (including a cross-claim or
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+ counterclaim) against any party alleging that the Package constitutes
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+ direct or contributory patent infringement, then this Artistic License
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+ to you shall terminate on the date that such litigation is filed.
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+
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+ (14) Disclaimer of Warranty: THE PACKAGE IS PROVIDED BY THE COPYRIGHT
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+ HOLDER AND CONTRIBUTORS "AS IS' AND WITHOUT ANY EXPRESS OR IMPLIED
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+ WARRANTIES. THE IMPLIED WARRANTIES OF MERCHANTABILITY, FITNESS FOR A
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+ PARTICULAR PURPOSE, OR NON-INFRINGEMENT ARE DISCLAIMED TO THE EXTENT
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+ PERMITTED BY YOUR LOCAL LAW. UNLESS REQUIRED BY LAW, NO COPYRIGHT
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+ HOLDER OR CONTRIBUTOR WILL BE LIABLE FOR ANY DIRECT, INDIRECT,
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+ INCIDENTAL, OR CONSEQUENTIAL DAMAGES ARISING IN ANY WAY OUT OF THE USE
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+ OF THE PACKAGE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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+
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+ Project-URL: Repository, https://github.com/omicverse/py-RUVSeq
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+ Project-URL: Issues, https://github.com/omicverse/py-RUVSeq/issues
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+ Requires-Python: >=3.10
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+ Description-Content-Type: text/markdown
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+ License-File: LICENSE
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+ License-File: ATTRIBUTION.md
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+ Requires-Dist: numpy>=1.23
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+ Requires-Dist: scipy>=1.10
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+ Requires-Dist: pandas>=1.5
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+ Provides-Extra: test
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+ Requires-Dist: pytest>=7; extra == "test"
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+ Dynamic: license-file
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+
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+ # py-RUVSeq
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+
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+ Review-stage Python reconstruction of a **subset** of RUVSeq, following the discovery, preregistration and reference-validation workflow in [omicverse-rebuildr](https://github.com/omicverse/omicverse-rebuildr).
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+
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+ RUVg, RUVr and RUVs matrix methods plus replicate-index construction. No EDASeq objects, automatic control selection or downstream DE.
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+
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+ ## Install and test
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+
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+ This project has not been published on PyPI. From this checkout:
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+
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+ ```bash
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+ python -m pip install ".[test]"
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+ python -m pytest -q
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+ ```
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+
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+ ## Usage and function map
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+
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+ See [the executed tutorial](examples/tutorial_fixture.ipynb), [R-to-Python parameter dictionary](examples/function_by_function_R_parity.ipynb), and [complete upstream export audit](AUDIT.md).
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+ Inputs, orientations and unsupported modes are documented in function docstrings. No R process is used at runtime.
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+
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+ ## Reproduce the R oracle
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+
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+ ```bash
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+ git clone https://github.com/drisso/RUVSeq.git ../RUVSeq-ref
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+ git -C ../RUVSeq-ref checkout f560e84eb493f0c2d72279612f9e4ca99493b434
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+ Rscript tests/reference.R ../RUVSeq-ref
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+ python -m pytest -q
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+ ```
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+
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+ The runner sources the pinned upstream functions, not a rewritten R approximation. RUVSeq S4 registration is intercepted to execute only matrix methods. SPARK sparse sum/mean helpers are supplied by Matrix, with unchanged statistical functions. MuSiC and muscat functions are sourced with their R dependencies loaded. muscat's source declares R >=4.6; this selected function subset was executed on R 4.5.2, not installed as the full package.
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+
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+ muscat's public fixture additionally uses `Rscript tests/public_reference.R ../muscat-ref`.
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+ All other primary fixtures are synthetic and do not establish biological accuracy. Numerical gates were committed before implementation and have not been widened.
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+
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+ ## Validation and limitations
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+
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+ 28 focused tests passed locally without skips. See [reconstruction report](RECONSTRUCTION_REPORT.md) for scope and remaining release checks. This is fixture-level equivalence, not full-domain or full-package equivalence. Runtime objects and failure messages are Python-native.
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+
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+ ## Citation and license
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+
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+ Upstream [RUVSeq](https://github.com/drisso/RUVSeq) at `f560e84eb493f0c2d72279612f9e4ca99493b434`; see ATTRIBUTION.md for upstream authors and package citation context, and LICENSE for terms.
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+
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+ ## Distribution preparation
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+
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+ The intended PyPI distribution is `py-ruvseq-omicverse`; the import remains `pyruvseq`. See [release preparation](RELEASE.md) for installed-wheel validation and the manual Trusted Publishing procedure. This preparation does not mean a PyPI release is available.
@@ -0,0 +1,9 @@
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+ py_ruvseq_omicverse-0.1.0.dist-info/licenses/ATTRIBUTION.md,sha256=cFiNeQb8-RYBn0LBc8jjAutnddpyugFmUnc2L-NXuHQ,1300
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+ py_ruvseq_omicverse-0.1.0.dist-info/licenses/LICENSE,sha256=TKuwBAaxCrlg0-u1wU5QQs9U0rlwzEBHWIqijHA1Jf4,9073
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+ pyruvseq/__init__.py,sha256=pQ6ZCGg8Vm6CWWD2kuhZQhlOBYwIJ_QSO8LckiBCr6E,118
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+ pyruvseq/_other.py,sha256=yIp0rC9fJ5TppU6TL5hny1xbD1DVsGuSexILFjlmjr4,6485
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+ pyruvseq/_ruvg.py,sha256=pdN2IS3llx5GpACTv3KKQThJK_LwhYAVyRJi8PpOQL0,7365
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+ py_ruvseq_omicverse-0.1.0.dist-info/METADATA,sha256=ZWsWgBRJUE8BeiZFY7_BSgmS8nB8SWGYFFw30rGGsao,13788
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+ py_ruvseq_omicverse-0.1.0.dist-info/WHEEL,sha256=mOdXR9C3wMVov7cSY8PY-XCzo3SmmWCHvGQr5csJoao,91
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+ py_ruvseq_omicverse-0.1.0.dist-info/top_level.txt,sha256=NzTk8o6EvLgWCVdF5SowpkgiVCZ3bYCx0gzw5EcpX9Q,9
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+ py_ruvseq_omicverse-0.1.0.dist-info/RECORD,,
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+ Wheel-Version: 1.0
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+ Generator: setuptools (84.2.1)
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+ Root-Is-Purelib: true
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+ Tag: py3-none-any
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+
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+ # Attribution
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+
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+ Upstream RUVSeq 1.33.1, commit f560e84eb493f0c2d72279612f9e4ca99493b434.
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+ Algorithms reconstructed from the upstream source under the accompanying LICENSE.
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+ Upstream author declarations:
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+
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+ ```
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+ Package: RUVSeq
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+ Version: 1.33.1
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+ Title: Remove Unwanted Variation from RNA-Seq Data
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+ Description: This package implements the remove unwanted variation
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+ (RUV) methods of Risso et al. (2014) for the normalization of
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+ RNA-Seq read counts between samples.
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+ Authors@R: c(person("Davide", "Risso", email = "risso.davide@gmail.com",
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+ role = c("aut", "cre", "cph")),
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+ person("Sandrine", "Dudoit", role = "aut"),
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+ person("Lorena", "Pantano", role = "ctb"),
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+ person("Kamil", "Slowikowski", role = "ctb"))
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+ Author: Davide Risso [aut, cre, cph], Sandrine Dudoit [aut], Lorena Pantano [ctb], Kamil Slowikowski [ctb]
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+ Maintainer: Davide Risso <risso.davide@gmail.com>
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+ Date: 04-15-2014
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+ Imports: methods, MASS
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+ Depends: Biobase, EDASeq (>= 1.99.1), edgeR
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+ Suggests: BiocStyle, knitr, RColorBrewer, zebrafishRNASeq, DESeq2
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+ VignetteBuilder: knitr
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+ License: Artistic-2.0
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+ LazyLoad: yes
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+ biocViews: ImmunoOncology, DifferentialExpression, Preprocessing, RNASeq, Software
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+ URL: https://github.com/drisso/RUVSeq
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+ BugReports: https://github.com/drisso/RUVSeq/issues
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+ RoxygenNote: 6.0.1
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+
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+ ```
@@ -0,0 +1,197 @@
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+ Artistic License 2.0
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+
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+ Copyright (c) 2000-2006, The Perl Foundation.
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+
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+ Everyone is permitted to copy and distribute verbatim copies of this
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+ license document, but changing it is not allowed.
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+
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+ Preamble
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+ ********
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+
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+ This license establishes the terms under which a given free software
12
+ Package may be copied, modified, distributed, and/or redistributed. The
13
+ intent is that the Copyright Holder maintains some artistic control over
14
+ the development of that Package while still keeping the Package
15
+ available as open source and free software.
16
+
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+ You are always permitted to make arrangements wholly outside of this
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+ license directly with the Copyright Holder of a given Package. If the
19
+ terms of this license do not permit the full use that you propose to
20
+ make of the Package, you should contact the Copyright Holder and seek a
21
+ different licensing arrangement.
22
+
23
+ Definitions
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+ ***********
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+
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+ "Copyright Holder" means the individual(s) or organization(s) named in
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+ the copyright notice for the entire Package.
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+
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+ "Contributor" means any party that has contributed code or other
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+ material to the Package, in accordance with the Copyright Holder's
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+ procedures.
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+
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+ "You" and "your" means any person who would like to copy, distribute, or
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+ modify the Package.
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+
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+ "Package" means the collection of files distributed by the Copyright
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+ Holder, and derivatives of that collection and/or of those files. A
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+ given Package may consist of either the Standard Version, or a Modified
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+ Version.
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+
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+ "Distribute" means providing a copy of the Package or making it
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+ accessible to anyone else, or in the case of a company or organization,
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+ to others outside of your company or organization.
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+
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+ "Distributor Fee" means any fee that you charge for Distributing this
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+ Package or providing support for this Package to another party. It does
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+ not mean licensing fees.
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+
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+ "Standard Version" refers to the Package if it has not been modified, or
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+ has been modified only in ways explicitly requested by the Copyright
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+ Holder.
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+
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+ "Modified Version" means the Package, if it has been changed, and such
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+ changes were not explicitly requested by the Copyright Holder.
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+
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+ "Original License" means this Artistic License as Distributed with the
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+ Standard Version of the Package, in its current version or as it may be
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+ modified by The Perl Foundation in the future.
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+
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+ "Source" form means the source code, documentation source, and
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+ configuration files for the Package.
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+
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+ "Compiled" form means the compiled bytecode, object code, binary, or any
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+ other form resulting from mechanical transformation or translation of
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+ the Source form.
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+
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+ Permission for Use and Modification Without Distribution
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+ ********************************************************
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+
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+ (1) You are permitted to use the Standard Version and create and use
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+ Modified Versions for any purpose without restriction, provided that you
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+ do not Distribute the Modified Version.
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+
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+ Permissions for Redistribution of the Standard Version
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+ ******************************************************
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+
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+ (2) You may Distribute verbatim copies of the Source form of the
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+ Standard Version of this Package in any medium without restriction,
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+ either gratis or for a Distributor Fee, provided that you duplicate all
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+ of the original copyright notices and associated disclaimers. At your
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+ discretion, such verbatim copies may or may not include a Compiled form
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+ of the Package.
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+
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+ (3) You may apply any bug fixes, portability changes, and other
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+ modifications made available from the Copyright Holder. The resulting
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+ Package will still be considered the Standard Version, and as such will
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+ be subject to the Original License.
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+
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+ Distribution of Modified Versions of the Package as Source
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+ **********************************************************
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+
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+ (4) You may Distribute your Modified Version as Source (either gratis or
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+ for a Distributor Fee, and with or without a Compiled form of the
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+ Modified Version) provided that you clearly document how it differs from
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+ the Standard Version, including, but not limited to, documenting any
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+ non-standard features, executables, or modules, and provided that you do
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+ at least ONE of the following:
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+
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+ (a) make the Modified Version available to the Copyright Holder of the
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+ Standard Version, under the Original License, so that the Copyright
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+ Holder may include your modifications in the Standard Version.
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+
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+ (b) ensure that installation of your Modified Version does not prevent
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+ the user installing or running the Standard Version. In addition, the
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+ Modified Version must bear a name that is different from the name of the
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+ Standard Version.
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+
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+ (c) allow anyone who receives a copy of the Modified Version to make the
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+ Source form of the Modified Version available to others under
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+
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+ (i) the Original License or
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+
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+ (ii) a license that permits the licensee to freely copy, modify and
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+ redistribute the Modified Version using the same licensing terms that
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+ apply to the copy that the licensee received, and requires that the
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+ Source form of the Modified Version, and of any works derived from it,
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+ be made freely available in that license fees are prohibited but
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+ Distributor Fees are allowed.
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+
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+ Distribution of Compiled Forms of the Standard Version or Modified
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+ ******************************************************************
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+ Versions without the Source
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+ ***************************
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+
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+ (5) You may Distribute Compiled forms of the Standard Version without
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+ the Source, provided that you include complete instructions on how to
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+ get the Source of the Standard Version. Such instructions must be valid
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+ at the time of your distribution. If these instructions, at any time
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+ while you are carrying out such distribution, become invalid, you must
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+ provide new instructions on demand or cease further distribution. If
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+ you provide valid instructions or cease distribution within thirty days
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+ after you become aware that the instructions are invalid, then you do
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+ not forfeit any of your rights under this license.
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+
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+ (6) You may Distribute a Modified Version in Compiled form without the
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+ Source, provided that you comply with Section 4 with respect to the
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+ Source of the Modified Version.
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+
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+ Aggregating or Linking the Package
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+ **********************************
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+
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+ (7) You may aggregate the Package (either the Standard Version or
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+ Modified Version) with other packages and Distribute the resulting
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+ aggregation provided that you do not charge a licensing fee for the
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+ Package. Distributor Fees are permitted, and licensing fees for other
146
+ components in the aggregation are permitted. The terms of this license
147
+ apply to the use and Distribution of the Standard or Modified Versions
148
+ as included in the aggregation.
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+
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+ (8) You are permitted to link Modified and Standard Versions with other
151
+ works, to embed the Package in a larger work of your own, or to build
152
+ stand-alone binary or bytecode versions of applications that include the
153
+ Package, and Distribute the result without restriction, provided the
154
+ result does not expose a direct interface to the Package.
155
+
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+ Items That are Not Considered Part of a Modified Version
157
+ ********************************************************
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+
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+ (9) Works (including, but not limited to, modules and scripts) that
160
+ merely extend or make use of the Package, do not, by themselves, cause
161
+ the Package to be a Modified Version. In addition, such works are not
162
+ considered parts of the Package itself, and are not subject to the terms
163
+ of this license.
164
+
165
+ General Provisions
166
+ ******************
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+
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+ (10) Any use, modification, and distribution of the Standard or Modified
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+ Versions is governed by this Artistic License. By using, modifying or
170
+ distributing the Package, you accept this license. Do not use, modify,
171
+ or distribute the Package, if you do not accept this license.
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+
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+ (11) If your Modified Version has been derived from a Modified Version
174
+ made by someone other than you, you are nevertheless required to ensure
175
+ that your Modified Version complies with the requirements of this
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+ license.
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+
178
+ (12) This license does not grant you the right to use any trademark,
179
+ service mark, tradename, or logo of the Copyright Holder.
180
+
181
+ (13) This license includes the non-exclusive, worldwide, free-of-charge
182
+ patent license to make, have made, use, offer to sell, sell, import and
183
+ otherwise transfer the Package with respect to any patent claims
184
+ licensable by the Copyright Holder that are necessarily infringed by the
185
+ Package. If you institute patent litigation (including a cross-claim or
186
+ counterclaim) against any party alleging that the Package constitutes
187
+ direct or contributory patent infringement, then this Artistic License
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+ to you shall terminate on the date that such litigation is filed.
189
+
190
+ (14) Disclaimer of Warranty: THE PACKAGE IS PROVIDED BY THE COPYRIGHT
191
+ HOLDER AND CONTRIBUTORS "AS IS' AND WITHOUT ANY EXPRESS OR IMPLIED
192
+ WARRANTIES. THE IMPLIED WARRANTIES OF MERCHANTABILITY, FITNESS FOR A
193
+ PARTICULAR PURPOSE, OR NON-INFRINGEMENT ARE DISCLAIMED TO THE EXTENT
194
+ PERMITTED BY YOUR LOCAL LAW. UNLESS REQUIRED BY LAW, NO COPYRIGHT
195
+ HOLDER OR CONTRIBUTOR WILL BE LIABLE FOR ANY DIRECT, INDIRECT,
196
+ INCIDENTAL, OR CONSEQUENTIAL DAMAGES ARISING IN ANY WAY OUT OF THE USE
197
+ OF THE PACKAGE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
@@ -0,0 +1 @@
1
+ pyruvseq
pyruvseq/__init__.py ADDED
@@ -0,0 +1,3 @@
1
+ from ._ruvg import ruvg
2
+ from ._other import ruvr, ruvs, make_groups
3
+ __all__ = ["ruvg", "ruvr", "ruvs", "make_groups"]
pyruvseq/_other.py ADDED
@@ -0,0 +1,132 @@
1
+ """RUVr/RUVs matrix methods; see pinned RUVSeq source in manifest.yaml.
2
+
3
+ RUVSeq authors: Davide Risso and Sandrine Dudoit; Artistic-2.0.
4
+ """
5
+ import warnings
6
+ import numpy as np
7
+ import pandas as pd
8
+ from scipy import sparse
9
+
10
+
11
+ def _prepare(x, controls, k, epsilon, tolerance, is_log):
12
+ labels = x if isinstance(x, pd.DataFrame) else None
13
+ values = x.to_numpy() if labels is not None else x
14
+ values = values.toarray() if sparse.issparse(values) else np.asarray(values)
15
+ if (values.ndim != 2 or min(values.shape) == 0 or
16
+ not np.issubdtype(values.dtype, np.number) or np.iscomplexobj(values) or
17
+ not np.isfinite(values).all()):
18
+ raise ValueError('x must be a finite genes-by-samples matrix.')
19
+ if isinstance(k, (bool, np.bool_)) or not isinstance(k, (int, np.integer)) or not 0 < k < values.shape[1]:
20
+ raise ValueError('k must be a positive integer less than the sample count.')
21
+ if not np.isfinite(epsilon) or epsilon <= 0 or not np.isfinite(tolerance) or tolerance < 0:
22
+ raise ValueError('Require positive epsilon and nonnegative tolerance.')
23
+ if not is_log and (np.any(values < 0) or not np.allclose(values, np.rint(values), rtol=0, atol=1e-8)):
24
+ raise ValueError('Use raw integer counts or set is_log=True.')
25
+ selected = np.asarray(controls)
26
+ if selected.ndim != 1 or not len(selected):
27
+ raise ValueError('Select a nonempty one-dimensional set of controls.')
28
+ if labels is not None and (not labels.index.is_unique or not labels.columns.is_unique):
29
+ raise ValueError('Gene and sample labels must be unique.')
30
+ if selected.dtype.kind == 'b':
31
+ if len(selected) != values.shape[0]:
32
+ raise ValueError('Control mask length mismatch.')
33
+ idx = np.flatnonzero(selected)
34
+ elif labels is not None:
35
+ idx = labels.index.get_indexer(selected)
36
+ elif selected.dtype.kind in 'iu':
37
+ idx = selected
38
+ else:
39
+ raise ValueError('Array controls must be integer indices or a boolean mask.')
40
+ if not len(idx) or len(np.unique(idx)) != len(idx) or np.any(idx < 0) or np.any(idx >= values.shape[0]):
41
+ raise ValueError('Controls must be distinct valid genes.')
42
+ y = values.astype(float).T
43
+ return (y if is_log else np.log(y + epsilon)), idx, labels
44
+
45
+
46
+ def _rank(d, k, tolerance):
47
+ effective = min(k, int(np.count_nonzero(d > tolerance)))
48
+ if not effective:
49
+ raise ValueError('No nonzero control subspace remains.')
50
+ if effective < k:
51
+ warnings.warn(f'Rank reduces k from {k} to {effective}.', UserWarning, stacklevel=3)
52
+ return effective
53
+
54
+
55
+ def _result(w, corrected, labels, epsilon, is_log, round_counts):
56
+ if not is_log:
57
+ with np.errstate(over='raise'):
58
+ corrected = np.exp(corrected) - epsilon
59
+ if round_counts:
60
+ corrected = np.maximum(np.rint(corrected), 0)
61
+ corrected = corrected.T
62
+ if labels is not None:
63
+ corrected = pd.DataFrame(corrected, index=labels.index, columns=labels.columns)
64
+ w = pd.DataFrame(w, index=labels.columns, columns=[f'W_{i+1}' for i in range(w.shape[1])])
65
+ return {'W': w, 'normalized_counts': corrected, 'k_used': w.shape[1]}
66
+
67
+
68
+ def ruvr(x, controls, k, residuals, *, center=True, round_counts=True,
69
+ epsilon=1., tolerance=1e-8, is_log=False):
70
+ """Estimate unwanted factors from caller-supplied genes-by-samples residuals.
71
+
72
+ Residuals should come from an appropriate first-pass biological model; this
73
+ function does not fit that model. Use returned W with original counts in DE.
74
+ """
75
+ y, idx, labels = _prepare(x, controls, k, epsilon, tolerance, is_log)
76
+ if isinstance(residuals, pd.DataFrame) and labels is not None:
77
+ if not residuals.index.equals(labels.index) or not residuals.columns.equals(labels.columns):
78
+ raise ValueError('Residual labels must match expression axes in order.')
79
+ e = np.asarray(residuals, dtype=float).T
80
+ if e.shape != y.shape or not np.isfinite(e).all():
81
+ raise ValueError('Residuals must be finite and have the same shape as x.')
82
+ if center:
83
+ e = e - e.mean(axis=0)
84
+ u, d, _ = np.linalg.svd(e[:, idx], full_matrices=False)
85
+ w = u[:, :_rank(d, k, tolerance)]
86
+ return _result(w, y - w @ (w.T @ y), labels, epsilon, is_log, round_counts)
87
+
88
+
89
+ def make_groups(groups):
90
+ """Return zero-based replicate indices, padded with -1 (R uses one-based)."""
91
+ groups = np.asarray(groups)
92
+ if groups.ndim != 1 or not len(groups) or pd.isna(groups).any():
93
+ raise ValueError('groups must contain one nonmissing label per sample.')
94
+ rows = [np.flatnonzero(groups == value) for value in sorted(pd.unique(groups))]
95
+ result = np.full((len(rows), max(map(len, rows))), -1, dtype=int)
96
+ for i, row in enumerate(rows):
97
+ result[i, :len(row)] = row
98
+ return result
99
+
100
+
101
+ def ruvs(x, controls, k, replicate_indices, *, round_counts=True,
102
+ epsilon=1., tolerance=1e-8, is_log=False):
103
+ """Estimate factors using replicate groups with constant biological signal.
104
+
105
+ replicate_indices is a matrix of zero-based sample positions padded with
106
+ -1, as returned by make_groups. Singleton groups do not estimate variation.
107
+ """
108
+ y, idx, labels = _prepare(x, controls, k, epsilon, tolerance, is_log)
109
+ groups = np.asarray(replicate_indices)
110
+ if groups.ndim != 2 or groups.dtype.kind not in 'iu' or np.any(groups < -1) or np.any(groups >= len(y)):
111
+ raise ValueError('replicate_indices must contain valid zero-based positions or -1.')
112
+ centered = []
113
+ for row in groups:
114
+ row = row[row >= 0]
115
+ if len(np.unique(row)) != len(row):
116
+ raise ValueError('Replicate rows cannot repeat a sample.')
117
+ if len(row) >= 2:
118
+ centered.extend(y[row] - y[row].mean(axis=0))
119
+ if not centered:
120
+ raise ValueError('At least one replicate group needs two samples.')
121
+ yc = np.asarray(centered)
122
+ yc = yc[yc.sum(axis=1) != 0] # preserve upstream row filtering semantics
123
+ if not len(yc):
124
+ raise ValueError('Replicates provide no variation.')
125
+ _, d, vt = np.linalg.svd(yc, full_matrices=False)
126
+ effective = _rank(d, k, tolerance)
127
+ alpha = d[:effective, None] * vt[:effective]
128
+ ac = alpha[:, idx]
129
+ if np.linalg.matrix_rank(ac) < effective:
130
+ raise ValueError('Control loadings cannot identify all requested factors.')
131
+ w = y[:, idx] @ np.linalg.solve(ac @ ac.T, ac).T
132
+ return _result(w, y - w @ alpha, labels, epsilon, is_log, round_counts)
pyruvseq/_ruvg.py ADDED
@@ -0,0 +1,139 @@
1
+ """Control-gene removal of unwanted variation (RUVg matrix method).
2
+
3
+ Reference: Risso et al., Nature Biotechnology (2014), doi:10.1038/nbt.2931.
4
+ Numerical contract checked against drisso/RUVSeq, commit
5
+ f560e84eb493f0c2d72279612f9e4ca99493b434 (RUVSeq 1.33.1).
6
+ """
7
+
8
+ from __future__ import annotations
9
+
10
+ import warnings
11
+ from numbers import Integral
12
+
13
+ import numpy as np
14
+ import pandas as pd
15
+ from scipy import sparse
16
+
17
+
18
+
19
+ def ruvg(expression, controls, k=1, *, drop=0, center=True,
20
+ round_counts=True, epsilon=1.0, tolerance=1e-8, is_log=False):
21
+ """Estimate RUVg factors from a genes-by-samples expression matrix.
22
+
23
+ Parameters
24
+ ----------
25
+ expression : pandas.DataFrame or two-dimensional array or scipy sparse matrix
26
+ Genes on rows and independent samples on columns. Counts must be finite,
27
+ nonnegative integers. With ``is_log=True``, supply already transformed
28
+ finite expression instead. Sparse input is explicitly densified: the
29
+ transformed/centered matrix and returned correction are dense.
30
+ controls : sequence
31
+ Negative control gene names for a DataFrame, zero-based row indices for
32
+ an array, or a boolean row mask. DataFrame controls are always labels.
33
+ Controls should not respond to the biological condition of interest.
34
+ k : int
35
+ Number of leading control-gene singular vectors considered, before
36
+ removing ``drop`` vectors. Must be less than the number of samples.
37
+ drop : int
38
+ Discard this many leading vectors; the output has at most k-drop factors.
39
+ center : bool
40
+ Center each transformed gene across samples before learning factors.
41
+ round_counts : bool
42
+ For count input, round reconstructed counts and clip negatives to zero.
43
+ If False, negative reconstructed values are retained, as in RUVSeq.
44
+ epsilon : float
45
+ Positive offset in the natural-log transformation log(counts + epsilon).
46
+ tolerance : float
47
+ Absolute singular-value threshold used to reduce k on deficient controls.
48
+ is_log : bool
49
+ Skip log transformation and return correction on the supplied scale.
50
+
51
+ Returns
52
+ -------
53
+ dict
54
+ ``W``: samples-by-factors; ``normalized_counts``: genes-by-samples.
55
+ Both are DataFrames with preserved axes for DataFrame input, otherwise
56
+ ndarrays. ``k_used`` is the number of returned factors. Input is unchanged.
57
+
58
+ Notes
59
+ -----
60
+ For count-based DE, use W as covariates alongside the biological design and
61
+ the original counts. The reconstructed matrix is not a substitute for raw
62
+ counts in a count likelihood. Confounded biology and unwanted variation
63
+ cannot be separated by this procedure without suitable controls.
64
+
65
+ This is the RUVg matrix algorithm, not full RUVSeq (RUVr/RUVs, EDASeq objects,
66
+ or downstream DE). Unlike R's warning-and-continue behavior, fractional raw
67
+ counts and a control subspace with no retained factors are rejected.
68
+ Singular-vector signs are arbitrary; compare W @ W.T across implementations.
69
+ """
70
+ frame = isinstance(expression, pd.DataFrame)
71
+ if frame and (not expression.index.is_unique or not expression.columns.is_unique):
72
+ raise ValueError("Gene and sample labels must be unique.")
73
+ values = expression.to_numpy() if frame else expression
74
+ values = values.toarray() if sparse.issparse(values) else np.asarray(values)
75
+ if (values.ndim != 2 or min(values.shape) < 1
76
+ or not np.issubdtype(values.dtype, np.number)
77
+ or np.iscomplexobj(values) or not np.isfinite(values).all()):
78
+ raise ValueError("expression must be a nonempty finite numeric matrix.")
79
+ for name, flag in (("center", center), ("round_counts", round_counts), ("is_log", is_log)):
80
+ if not isinstance(flag, (bool, np.bool_)):
81
+ raise ValueError(f"{name} must be boolean.")
82
+ if isinstance(k, (bool, np.bool_)) or not isinstance(k, Integral) or not 0 < k < values.shape[1]:
83
+ raise ValueError("k must be a positive integer smaller than the sample count.")
84
+ if isinstance(drop, (bool, np.bool_)) or not isinstance(drop, Integral) or not 0 <= drop < k:
85
+ raise ValueError("drop must be an integer with 0 <= drop < k.")
86
+ for name, value, positive in (("epsilon", epsilon, True), ("tolerance", tolerance, False)):
87
+ if (not np.isscalar(value) or isinstance(value, (str, bool))
88
+ or not np.isreal(value) or not np.isfinite(value)
89
+ or (value <= 0 if positive else value < 0)):
90
+ raise ValueError(f"{name} must be finite and {'positive' if positive else 'nonnegative'}.")
91
+ if not is_log and (np.any(values < 0) or
92
+ not np.all(np.abs(values - np.rint(values)) < np.sqrt(np.finfo(float).eps))):
93
+ raise ValueError("Supply nonnegative integer counts, or set is_log=True for transformed data.")
94
+ selected = np.asarray(controls)
95
+ if selected.ndim != 1 or selected.size == 0:
96
+ raise ValueError("controls must be a nonempty one-dimensional sequence.")
97
+ if selected.dtype.kind == "b":
98
+ if len(selected) != values.shape[0]:
99
+ raise ValueError("The control mask must have one entry per gene.")
100
+ indices = np.flatnonzero(selected)
101
+ elif frame:
102
+ indices = expression.index.get_indexer(selected)
103
+ if np.any(indices < 0):
104
+ raise ValueError("All control gene labels must occur in expression.index.")
105
+ else:
106
+ if selected.dtype.kind not in "iu":
107
+ raise ValueError("Array controls must be zero-based integer row indices or a boolean mask.")
108
+ indices = selected
109
+ if np.any(indices < 0) or np.any(indices >= values.shape[0]):
110
+ raise ValueError("Control indices are out of bounds.")
111
+ if not len(indices) or len(np.unique(indices)) != len(indices):
112
+ raise ValueError("Select at least one control gene without duplicates.")
113
+
114
+ transformed = values.astype(np.float64, copy=True).T
115
+ if not is_log:
116
+ transformed = np.log(transformed + epsilon)
117
+ control_matrix = transformed[:, indices]
118
+ if center:
119
+ control_matrix = control_matrix - control_matrix.mean(axis=0)
120
+ vectors, singular_values, _ = np.linalg.svd(control_matrix, full_matrices=False)
121
+ effective = min(k, int(np.count_nonzero(singular_values > tolerance)))
122
+ if effective <= drop:
123
+ raise ValueError("Control matrix rank leaves no factors after drop; revise controls, k or drop.")
124
+ if effective < k:
125
+ warnings.warn(f"Control matrix rank reduces k from {k} to {effective}.", UserWarning, stacklevel=2)
126
+ factors = vectors[:, drop:effective]
127
+ # Orthogonal projection is invariant to SVD sign flips and basis rotations.
128
+ corrected = transformed - factors @ (factors.T @ transformed)
129
+ if not is_log:
130
+ with np.errstate(over="raise", invalid="raise"):
131
+ corrected = np.exp(corrected) - epsilon
132
+ if round_counts:
133
+ corrected = np.maximum(np.rint(corrected), 0)
134
+ corrected = corrected.T
135
+ if frame:
136
+ factors = pd.DataFrame(factors, index=expression.columns,
137
+ columns=[f"W_{i + 1}" for i in range(factors.shape[1])])
138
+ corrected = pd.DataFrame(corrected, index=expression.index, columns=expression.columns)
139
+ return {"W": factors, "normalized_counts": corrected, "k_used": effective - drop}