Ticket #11418 (closed: fixed)
Add algorithm that calls PoldiCreatePeaksFromCell with parameters from a file
| Reported by: | Michael Wedel | Owned by: | Michael Wedel |
|---|---|---|---|
| Priority: | major | Milestone: | Release 3.4 |
| Component: | Diffraction | Keywords: | POLDI |
| Cc: | Blocked By: | ||
| Blocking: | Tester: | Federico Montesino Pouzols |
Description
For completing the POLDI WorkflowAlgorithm (#10702), I want to add an algorithm that reads a file with crystal structure information and calls PoldiCreatePeaksFromCell, so that the resulting workspace with reflections can be used in the WorkflowAlgorithm. The file format is specific to POLDI and in ticket #10702 I already added an experimental parser written in Python, but it's in the wrong place and should be moved to this specific algorithm so that it can be exchanged later on when ticket #10426 progresses.
Change History
comment:2 Changed 6 years ago by Michael Wedel
Refs #11418. Changed unit test to use existing function
Changeset: 474548a82ed5e1fea76e97cd660589ef28448d76
comment:3 Changed 6 years ago by Michael Wedel
Refs #11418. Added testhelper for temporary files
Changeset: 5f1af0750be541647bcfdd5dd00a68d12296ae8c
comment:4 Changed 6 years ago by Michael Wedel
Refs #11418. Added failing test for PyExec
Imported code from other branch for parsing.
Changeset: fd01484f9b70147dbf639434266df8708601cbf0
comment:5 Changed 6 years ago by Michael Wedel
Refs #11418. Clean up format, make test pass
Changeset: b1c6e1b9591bb7731c7873ab11143df8f31d00a8
comment:6 Changed 6 years ago by Michael Wedel
Refs #11418. Handle invalid lattice strings
Changeset: db7e45bebe2935b716e5d5cb0767816f25970500
comment:7 Changed 6 years ago by Michael Wedel
Refs #11418. Small improvements to parser, more tests
Changeset: f96d1d28c8d487ac94c68a1a0183a65e2a5e065f
comment:8 Changed 6 years ago by Michael Wedel
Refs #11418. Fix pylint warnings
Changeset: 547568ba133f20261eca2061913a8e03b8bd1441
comment:9 Changed 6 years ago by Michael Wedel
Refs #11418. Cover more test-cases, fix element symbol parsing
Changeset: f72c65035b87d4b21dfab5381cab61e13151bafe
comment:10 Changed 6 years ago by Michael Wedel
Refs #11418. Adding documentation, changing algorithm name
The new algorithm name is a better reflection of what it's actually doing.
Changeset: cea186a613b38d280c3b5efba98ff24788299a5c
comment:11 Changed 6 years ago by Michael Wedel
Refs #11418. Added some comments, changed a default
Changeset: d198d74e310a922f75e8df341fcd0f410447cd0a
comment:12 Changed 6 years ago by Michael Wedel
Refs #11418. Added documentation, usage data
Changeset: 5f1006b332e8487b318e73ebcd7cc6dbe4d3b0a6
comment:13 Changed 6 years ago by Michael Wedel
Refs #11418. Fixing two minor doc issues.
Changeset: fbeaad46216beeae6b705b3aaa1eb654f8a22c23
comment:14 Changed 6 years ago by Michael Wedel
Refs #11418. Fixing typo, pylint in test.
Changeset: b42f42c24973796d7b3307b6b3be3af6b1244765
comment:15 Changed 6 years ago by Michael Wedel
- Status changed from inprogress to verify
- Resolution set to fixed
This is being verified as pull request #459.
comment:16 Changed 6 years ago by Federico Montesino Pouzols
- Status changed from verify to verifying
- Tester set to Federico Montesino Pouzols
comment:17 Changed 6 years ago by Federico Montesino Pouzols
All looks good and ready to go. Tests passed locally, including a few "lousy user" variations from the doc test.
comment:18 Changed 6 years ago by Federico Montesino Pouzols
- Status changed from verifying to closed
Merge pull request #459 from mantidproject/11418_poldi_create_peaks_from_cell_file
Algorithm to call PoldiCreatePeaksFromCell with parameters from a file
Full changeset: d43d09240fa83ae9375f97ab71b949df25521249
comment:19 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 12257
Refs #11418. Added algorithm skeleton and failing test
Changeset: c23c9c19d8cc4d77bb879bceb4c4d2c8375d2cc9