If you've never used PyRS before, you can get started quickly by doing the following.
- Install basic dependencies: Conda, Python, and PyQt
- Create a new Conda environment with additional dependencies:
$ conda create -n pyrs -c mantid -c mantid/label/nightly mantid-workbench -c conda-forge
- Activate the conda environment
$ conda activate pyrs
- From the PyRS directory, run the setup script in developer mode
$ python setup.py develop
- From the PyRS directory, start the user interface
$ python scripts/pyrsplot
The workflow is as follows. The word "script" is used to denote a distict step in processing the data rather than actual script.
- Start with a nexus file. As in, /HFIR/HB2B/IPTS-22731/nexus/HB2B_439.nxs.h5
- This is read in by something that will split into sub-scans and create a project file [script 1 - currently convert_nexus_to_hidra.py]
- This is read in by something that will create powder patterns and add them to the project file [script 2 - currently reduce_HB2B.py]
- This is read in by the gui to do the peak fitting and add the results to the project file [script 3 - currently somewhere in the gui]
- This is read in by the gui and used to create the summary .csv file [script 4 - currently being written]
Some other things to note * scripts 1-2 will be refactored/combined to create a new reduce_HB2B.py that can be run by autoreduction * scripts 2-4 (more like functionality 2-4) will all live in the gui in some way * going back any number of steps will delete the following steps from the project file. This is to prevent users from having a project file with powder patterns that are not associated with the peak fitting from the project file.
To start main window from analysis machine
$ PYTHONPATH=$PWD:$PYTHONPATH QT_API=pyqt python scripts/pyrsplot
To develop
$ pyrsdev.sh
To run the tests
$ pyrstest.sh