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author | Lev Levitsky | 2015-09-22 23:01:56 +0300 |
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committer | Lev Levitsky | 2015-09-22 23:03:43 +0300 |
commit | 6a270588fd8aea829c3575b415dea7067eb98ba6 (patch) | |
tree | b9ba4dc9bb874619f56db6d0d3e08cba132fefdb | |
parent | 72a36dec00eb5fc9065856f35905baa4b1027776 (diff) | |
download | aur-6a270588fd8aea829c3575b415dea7067eb98ba6.tar.gz |
Version 3.1
-rw-r--r-- | .SRCINFO | 11 | ||||
-rw-r--r-- | CHANGELOG | 43 | ||||
-rw-r--r-- | PKGBUILD | 8 |
3 files changed, 52 insertions, 10 deletions
@@ -1,20 +1,19 @@ -# Generated by makepkg 4.2.1 -# Wed Apr 15 22:17:40 UTC 2015 pkgbase = python2-pyteomics pkgdesc = A framework for proteomics data analysis. - pkgver = 3.0.1 - pkgrel = 1 + pkgver = 3.1 + pkgrel = 2 url = http://pythonhosted.org/pyteomics changelog = CHANGELOG arch = any license = Apache depends = python2 + depends = python2-setuptools optdepends = python2-matplotlib: for pylab_aux module, optional optdepends = python2-lxml: for XML parsing modules, recommended optdepends = python2-numpy: for lots of features, highly recommended options = !emptydirs - source = https://pypi.python.org/packages/source/p/pyteomics/pyteomics-3.0.1.tar.gz - md5sums = 2c838cc1c16dce69148662b883c755b9 + source = https://pypi.python.org/packages/source/p/pyteomics/pyteomics-3.1.tar.gz + md5sums = 5e4c8d38f0891e82b8ec30515ce6718f pkgname = python2-pyteomics diff --git a/CHANGELOG b/CHANGELOG index a9f2bb997e99..7dcb0ee07f39 100644 --- a/CHANGELOG +++ b/CHANGELOG @@ -1,3 +1,45 @@ +3.1 +--- + +This release offers integration with the great :py:mod:`pandas` library. +Working with :py:func:`qvalues` and :py:func:`!filter` functions +is now much easier if you have your PSMs in a :py:class:`DataFrame`. +Many search engines use CSV as their output format, allowing direct +creation of :py:class:`DataFrame` objects. New functions +:py:func:`pyteomics.tandem.DataFrame` and :py:func:`pyteomics.pepxml.DataFrame` +faciliatate creation of DataFrames from corresponding formats. + +Also, :py:func:`qvalues`, :py:func:`!filter` and :py:func:`fdr` functions can now use +posterior error probabilities (PEPs) instead of using decoys for q-value calculation. + + - In :py:func:`qvalues` and :py:func:`!filter` functions, + `key` and `is_decoy` can now be array-like objects or strings + (as well as functions and iterators). + If a string is given, it is used as a field name in the PSM array + or :py:class:`DataFrame`. :py:func:`fdr` functions also support strings + and iterables as arguments. + + - New parameter `pep` in :py:func:`qvalues`, :py:func:`!filter` and :py:func:`fdr` functions. + It can be callable, array-like, or iterator. Conflicts with decoy-related + parameters. Compatible with `key`, but makes it optional. + + - Fixed the behavior of :py:func:`filter.chain` functions. They now treat + the `full_output` argument the same way as :py:func:`!filter` functions. + + - Fixed the issue that caused exceptions when calling :py:func:`fasta.decoy_db` + and :py:func:`fasta.write_decoy_db` with explicitly given `mode` (signature + for creation of :py:class:`pyteomics.auxiliary.FileReader` objects slightly changed). + + - Pyteomics now uses `setuptools` and is a namespace package. + + - Minor fixes. + + +API changes +........... + +- Default value of `remove_decoy` in :py:func:`qvalues` is now :py:const:`False`. + 3.0.1 ----- @@ -8,6 +50,7 @@ 3.0.0 ----- + - XML parsers are now implemented as objects, each format has its own class. Those classes can be instantiated using the same arguments as :py:func:`read` functions accepted, and support direct iteration and the ``with`` syntax. @@ -1,18 +1,18 @@ # Maintainer: Lev Levitsky <levlev at mail dot ru> pkgname=python2-pyteomics -pkgver=3.0.1 -pkgrel=1 +pkgver=3.1 +pkgrel=2 pkgdesc="A framework for proteomics data analysis." arch=('any') url="http://pythonhosted.org/pyteomics" license=('Apache') -depends=('python2') +depends=('python2' 'python2-setuptools') optdepends=('python2-matplotlib: for pylab_aux module, optional' \ 'python2-lxml: for XML parsing modules, recommended' \ 'python2-numpy: for lots of features, highly recommended') options=(!emptydirs) source=("https://pypi.python.org/packages/source/p/pyteomics/pyteomics-${pkgver}.tar.gz") -md5sums=('2c838cc1c16dce69148662b883c755b9') +md5sums=('5e4c8d38f0891e82b8ec30515ce6718f') changelog="CHANGELOG" package() { cd "${srcdir}/pyteomics-${pkgver}" |