save GSS overlapping output numbers

[Raquel Alvarez Banos]

To reproduce the error:

• Load spectrum 5 from dataset ​https://github.com/mantidproject/mantid/blob/master/Test/AutoTestData/LOQ25654.RAW
• Execute SaveGSS algorithm with the options "SplitFiles" and "MultiplyByBinWidth" ticked, and RALF format
• Check the output file. X and Y values in lines 81 and 109 are overlapped.

A subsequent execution of LoadGSS algorithm on the above file will produce an entirely different spectrum.

[Raquel Alvarez Banos]

Re #10442 SaveGSS overlapping output numbers

Changeset: 236ab1e1d8ec1bda28ddb7327b32565315e5c3c3

[Raquel Alvarez Banos]

Re #10442 Attempting to fix cppcheck_develop errors

Changeset: dde281e9fd19bd76dcd635b3dadf7fcb171b5602

[Raquel Alvarez Banos]

The output overlapping numbers are caused by std::setw(18) output width in SaveGSS. When spectra have a high number of counts the output width is not enough and numbers from different columns overlap. So far, I have not been able to figure out if setw(18) is required in GSS format. If it were not, the best solution would be to set the output width to a higher value in SaveGSS. However, as I am not sure and could not find the answer in the GSAS manual, I modified LoadGSS so that rows are read as strings and then converted into double (see lines 347-351 in LoadGSS.cpp).

Tester:

• Load spectrum 1 in dataset ​​https://github.com/mantidproject/mantid/blob/master/Test/AutoTestData/LOQ25654.RAW
• Run SaveGSS
• On the master branch, if you load the file you have just created with LoadGSS and plot the spectrum, it will be quite different from the original one.
• On this branch, both spectra will look the same.

• Try a SaveGSS/LoadGSS round trip on different datasets and check that spectra stay the same

[Dan Nixon]

Merge remote-tracking branch 'origin/bugfix/10442_SaveGSS_overlapping_output_numbers'

Full changeset: ​582b3068d87f6f9fcfbf59f3a86a0d2f95cc635a

[Stuart Campbell]

This ticket has been transferred to github issue ​11284