Create an algorithm for running MC absorption with hollow cylinder can

[Martyn Gigg]

Primary use for WISH:

• Aluminium can: In the experiment, I remember we chose to use Al-can

whose dimension are 22mm O/D, 18.4mm I/D For the more details, you may need to discuss with the can-maker.

• Sample thickness: it was about 0.9 mm including Al-sachet. For sample only, it would be about 0.5 mm.
• Sample height: it was about 40 mm including Al-sachet. For sample only, it would be about 38 mm.
• Mass : 710 mg
• Absorption cross-sections from NIST [barns= 10^-24cm2] : Li=70.5 barns, Ir=425 barns, O=0 barns

​http://www.ncnr.nist.gov/resources/n-lengths/list.html

• density: 7.58622 g/cm³
• relative molecular mass of the sample (Li2IrO3) : 254.1 g/mole

[Martyn Gigg]

Lose structure for algorithm.

Refs #9842

Changeset: f83ab8f607ef724411eb389cee314e53804f0e70

[Martyn Gigg]

Properties for sample/can geometry & can material.

Refs #9842

Changeset: a684d55a33b240fd3e5dfcc0a27123fbf36bc9cc

[Martyn Gigg]

Refactoring to separate out xml creation for each shape.

It replaces Poco::format with the more flexible boost::format. Refs #9842

Changeset: 1887c3107bc02d5b6978e157d5b8b7f2057f6bbf

[Martyn Gigg]

Run set sample material

Refs #9842

Changeset: d9854d8c417977100cef0d21b04d2c204e5ff0c1

[Martyn Gigg]

Define sample shape from inputs.

Refs #9842

Changeset: 858cbe8fd319fa05c5e2fb841a0b9dcdff8f7e53

[Martyn Gigg]

Run MonteCarloAbsorption algorithm on workspace.

Tests don't pass yet due to problems in Monte Carlo algorithm. Refs #9842

Changeset: 065bf15f70258ce4129291fe664acc17119ca5d6

[Martyn Gigg]

Bare bones documentation file.

Refs #9842

Changeset: ba485e1da59480fb36c69b24ef1b3764c34ef629

[Martyn Gigg]

Fix indentation & whitespace. No code changes.

Refs #9842

Changeset: a380bd0e8ed319f5ad862e8de4f1bad91df796e9

[Martyn Gigg]

Alter approach to generating random point in sample/container.

For hollow shapes the old approach was very inefficient. The new method chops up the sample into discrete boxes and first samples the boxes and then inside a box. There is also a possibility of improving it further by first removing the boxes that are in a hollow part of the object at the caching step but this will be done later. Refs #9842

Changeset: 6da1f239dee4f6da90b266ec0fedf97a582520bc

[Martyn Gigg]

Checkpoint sample-block performance improvements.

Refs #9842

Changeset: 63ac15623f7bfe3e103b1010d3118966e4301648

[Martyn Gigg]

Implement hollow can as simple cylindrical sample.

Refs #9842

Changeset: 5f914600fcda726fbe06f8924eaa9d6f89b5dc75

[Martyn Gigg]

Improve performance of Sphere::side

Remove temporary V3D constructions. Refs #9842

Changeset: ba44c66a51d86af82e10f90fe46765a3a59b9907

[Martyn Gigg]

Cache pointers to SampleEnvironment children

Avoids constant dynamic casting when checking against points & rays. Refs #9842

Changeset: 52a7fdfafad4b223d219c6ba55a06da661a3631c

[Martyn Gigg]

Performance improvements in MonteCarloAbsorption

Avoid constructing unnecessary V3Ds and exit early if a point is found to be in a block rather than checking everyting. Refs #9842

Changeset: babc40e279f7f36e6104c739c0c79d6da234e1db

[Martyn Gigg]

Store a reference to the intersected object in a Track link

This should avoid having to go through the object component to get access to the shape when testing for intersections. Refs #9842

Changeset: 1638b974fa7b3f4175b933fbf785645248b45b30

[Martyn Gigg]

Put Geometry::Object back to storing the material.

Refs #9842

Changeset: f08c20e4dff6e7a6c735567e4dc824135f578bef

[Martyn Gigg]

Remove material from Sample as it is now stored with the Object.

Refs #9842

Changeset: de4bb24a05e5e687887b91447cc9259b8a820fc4

[Martyn Gigg]

Simplify SampleEnvironment to be a collection of Objects

This offers a massive performance improvement for repeated intersection calculations as it removes he need to consider the absolute location of the components. It is also more consistent with the way the sample shape is dealt with as that does not catre about absolute location either. The location is defined within the instrument. Refs #9842

Changeset: 08fbd7ca3f90d51f39387ec3e06d9677f520b0db

[Martyn Gigg]

Parallelize MonteCarloAbsorption algorithm.

Uses a separate random number generator per thread. This way the results are always reproducible. Refs #9842

Changeset: 50d4a000d68be03d62a657660298325d5c92992c

[Martyn Gigg]

Fix a doxygen errors across several files related to latex.

Refs #9842

Changeset: 59347cc1649e6ec9c8eea3196739dafad99b3701

[Martyn Gigg]

Documentation for the new algorithm with an example.

Refs #9842

Changeset: 89597ba7199b61ba3659909e6d97c0c0d0b005c7

[Martyn Gigg]

Merge branch 'master' into feature/9842_mc_absorb_hollow_cylinder

Conflicts:

Code/Mantid/Framework/Geometry/CMakeLists.txt

Refs #9842

Changeset: 5a53148ba66344bc57c3ffc5cf2b8120c0378a92

[Martyn Gigg]

Fix Geometry CMakeLists after class removal.

Refs #9842

Changeset: 5c209bef90d47644fb4afbcbba3a1505b7e869f5

[Martyn Gigg]

Fix errors from a bad rebase

Refs #9842

Changeset: 60f11b5091922d46d0f6e8c66f007e1dab2beb47

[Martyn Gigg]

Fix subtle bug in CopySample introduced by combining Object/Material.

Refs #9842

Changeset: 243f8ffbab3b8c23c720cd6037d4bfa2dea42d42

[Martyn Gigg]

Remove Sample::setMaterial member

Avoids ambiguity about where the Material is actually stored. Refs #9842

Changeset: 86a7a5942e5d5a66e229446c4a80d4d39061cce7

[Martyn Gigg]

Allow the Sample shape to be returned to its default state.

Refs #9842

Changeset: 3afa1e48fe3247c5afc7dda7713b50110e40a69b

[Martyn Gigg]

Fix LoadHKL, SaveHKL and SortHKL after sample changes.

Refs #9842

Changeset: b4026505afb7ec16c36c6a5d2d54bab764573bf4

[Martyn Gigg]

Fix MonteCarloAbsorption for systems without emplace_back.

Refs #9842

Changeset: 5110eef819efab13d548d8462b10922c4d9efeac

[Martyn Gigg]

Avoid intel compiler problem with continue and omp loops

Refs #9842

Changeset: 7e23f2b022c2035a7a35be69aba33be97f9d9b94

[Martyn Gigg]

This is being verified as ​pull request #42.

[Martyn Gigg]

A chat on slack has convinced me that a better name for the algorithm would be *AnnularRingAbsorption* so I'll update the name to that.

[Martyn Gigg]

It would appear that the clang is not happy with the MonteCarloAbsorption test. This should be fixed as we've only just got it working!

[Martyn Gigg]

Change HollowCanMonteCarloAbsorption name to AnnularRingAbsorption

Its a better fit for what the algorithm does. Refs #9842

Changeset: 603d0a113f38b2d90d16747c9010f0a35ef72fec

[Martyn Gigg]

Use a single thread for MonteCarloAborption tests

The numbers are then reproducible across all environments. Refs #9842

Changeset: 84f2670b119fbbc1a01c4f80ef71159935fb103e

[Martyn Gigg]

Merge branch 'master' into feature/9842_mc_absorb_hollow_cylinder

Full changeset: ​49ce217641eb641a50d5711ff6c1612b98d16b85

[Martyn Gigg]

Merge branch 'master' into feature/9842_mc_absorb_hollow_cylinder

Conflicts:

Code/Mantid/Framework/Geometry/CMakeLists.txt

Refs #9842

Full changeset: ​5a53148ba66344bc57c3ffc5cf2b8120c0378a92

[Pete Peterson]

Merge pull request #42 from mantidproject/feature/9842_mc_absorb_hollow_cylinder

This is fine. I created #10379(​http://trac.mantidproject.org/mantid/ticket/10379) for an improvement to this and related algorithms.

Full changeset: ​766556e529fcf5c53a63eb195a8902eefa6931e7

[Pete Peterson]

This is fine. I've created #10379(​http://trac.mantidproject.org/mantid/ticket/10379) for future improvements.

[Stuart Campbell]

This ticket has been transferred to github issue ​10684