Ticket #9466 (closed: fixed)
Non-integer number of atoms in materials
Reported by: | Peter Peterson | Owned by: | Peter Peterson |
---|---|---|---|
Priority: | major | Milestone: | Release 3.2 |
Component: | Framework | Keywords: | |
Cc: | lynchve@… | Blocked By: | |
Blocking: | Tester: | Michael Reuter |
Description
For PDF measurements, the materials often don't have integer number of atoms for the chemical formulas. This will be considered a success when "Y-Ba2-Cu3-O6.56" works in SetSampleMaterial.
Change History
comment:2 Changed 6 years ago by Pete Peterson
- Status changed from assigned to inprogress
Re #9466. Changing number of atoms to a float.
Changeset: 0482d2ddd716fd9f5a5ec1c2e45ce95742a5d71a
comment:3 Changed 6 years ago by Pete Peterson
Re #9466. Changed Atom to forward declare.
Changeset: 55dc2c2f6792fd2501ed52261d7ae63bb195e8b2
comment:4 Changed 6 years ago by Martyn Gigg
There are some msbuild compiler warnings on develop: http://builds.mantidproject.org/job/develop_clean/label=win7-build/71/warnings30Result/
comment:5 Changed 6 years ago by Pete Peterson
Re #9466. Quieting windoze compiler warning.
Changeset: 47e3fa1e443635e814e6fb7aaeb549d4df6f4d69
comment:6 Changed 6 years ago by Peter Peterson
- Status changed from inprogress to verify
- Resolution set to fixed
This is in feature/9466_float_atoms.
The unit test does all of the real testing, but use SetSampleMaterial with a bunch of different compositions and see what you get.
comment:7 Changed 6 years ago by Michael Reuter
- Status changed from verify to verifying
- Tester set to Michael Reuter
comment:8 Changed 6 years ago by Michael Reuter
- Status changed from verifying to reopened
- Resolution fixed deleted
Looks like the Li7 test is never checked.
comment:9 Changed 6 years ago by Pete Peterson
- Status changed from reopened to inprogress
Re #9466. Adding checks on the Li7 test.
Changeset: b87ca99fba114c44d617fe5ae89c284575a3e79a
comment:10 Changed 6 years ago by Peter Peterson
- Status changed from inprogress to verify
- Resolution set to fixed
The tests are now in.
comment:12 Changed 6 years ago by Pete Peterson
Re #9466. Don't log anvred info if there is no number density.
Changeset: dd931a32565e53220082e291ae18013feea57199
comment:13 Changed 6 years ago by Michael Reuter
- Status changed from verifying to closed
Merge remote-tracking branch 'origin/feature/9466_float_atoms'
Full changeset: 5a4e167ce29db48af5f259c6d286349d3f63283e
comment:14 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 10309