OpenMSToffee¶
OpenMSToffee
is a wrapper around OpenSwath
that allows us to use the toffee file format. It is available as a Docker image at cmriprocan/openms-toffee
.
We follow the OpenVDB style guide for the C++ and PEP-8 for our python code, so please aim to stay consistent with the rest of the code base. Contributions will be pass through peer review and style will be one element that is reviewed.
Changes¶
Change Log¶
0.14¶
0.14.1¶
- Changed license to MIT and fixed documentation for https://openms-toffee.readthedocs.io
- Bumped version of
toffee
to 0.13.1, also MIT licensed
0.13¶
0.13.12¶
- Bumped version of
toffee
to 0.12.16, which now includes the mzML to toffee to mzML conversions - Removed all mzML to toffee conversions from this package and deleted tests
0.13.11¶
- Bumped version of
toffee
to 0.12.9, which now includes the toffee to mzML conversion (PD-793)
0.13.10¶
- Bumped version of
toffee
to 0.12.4 - Many fixes to accommodate change in structure of the dia-test-data repository
0.13.9¶
- Added ability to convert toffee files to Spectra HDF5 files (PD-793)
0.13.8¶
- Bumped version of
toffee
to 0.11.1
0.13.6¶
- Bumped version of
toffee
to 0.10.6 (that fixes PD-749) and added unit test
0.13.5¶
- Bumped version of
toffee
to 0.10.5 (that fixes PD-735)
0.13.4¶
- Pinned version of
toffee
to 0.10.4 (that fixes PD-727)
0.13.3¶
- A few bug fixes for the mzML to toffee conversion
0.13.2¶
- Updated to version 1.2.4 of
cmriprocan/openms
.
0.13.1¶
- Significant refactor of the
XML
totoffee
conversion process. This has been pulled apart into smaller modules such that individual parts can be tested. Importantly, the code that convertsmzML
andmzXML
toHDF5
is now shared by the process that then converts these to toffee. This improves memory performance, and means that we can test both conversions.
0.12¶
0.12.1¶
- Directly linking to upstream image in Dockerfile:
cmriprocan/openms:1.2.3
which:- Updated
OpenMS
to versionCMRI-ProCan-v1.1.2
- Updated
PyProphet
to2.0.2
- Updated
0.11¶
0.11.1¶
- Updated
OpenMS
to versionCMRI-ProCan-v1.1.1
with hot-fix to solve https://github.com/OpenMS/OpenMS/issues/3860