Implement Sample UBMatrix and allow n dimensional Q conversion

[Nick Draper]

requires #451

We will need to talk to Pascal/Laurent/Toby about this one.

[Nick Draper]

Batch move of tickets to Iteration 17

[Nick Draper]

Moved as part of iteration end

[Nick Draper]

Moved as part of iteration 18 end

[Nick Draper]

Moved as part of the end of Iteration 19

[Janik Zikovsky]

This is becoming important in order to go to the MDWorkspace in the VATES project

[Nick Draper]

Bulk move of tickets to iteration 27, if your ticket is essential for Iteration 26 then move it back.

[Andrei Savici]

(In [9420]) added documentation for UB matrix in tex/pdf format. refs#455

[Andrei Savici]

For implementation, need to solve ticket #829 and have an efficient way to work with multidimensional workspaces. Will change the milestone to iteration 28

[Andrei Savici]

(In [10873]) Goniometer class. Needed for UB matrix. Refs#455

[Andrei Savici]

(In [10916]) Implementation of the Goniometer class, needed for UB matrix. Refs#455

[Andrei Savici]

(In [10923]) UnitCell documentation fix. Added flag to Matrix constructor to create identity matrix. Refs#455

[Andrei Savici]

(In [10929]) OrientedLattice class implements UB matrix. Refs#455

[Nick Draper]

Bulk move of tickets at the end of iteration 28

[Andrei Savici]

(In [11246]) Test for OrientedLattice. Refs.#455

[Andrei Savici]

(In [11247]) Commented out tests untill I understand what is happening in Windows builds. Refs #455

[Andrei Savici]

(In [11248]) Try again. Refs #455

[Andrei Savici]

(In [11309]) Helper function to import numpy array. Refs #455

[Andrei Savici]

(In [12496]) Python bindings: numpy array to Matrix<double>. Expose UnitCell::recalculateFromGstar. Refs#455

[Andrei Savici]

(In [12497]) Fix for numpy. Refs#455

[Andrei Savici]

(In [12520]) OrientedLattice exposed to python. Check if U is proper rotation. Partial fix for LoadIsawUB. Refs #455

[Andrei Savici]

Note: Oriented lattice constructors exposed in python do nou contain the U matrix. Use constructors without U, then use setU function. Here is what you can play with (test):

from numpy import *
ub=array([[0,0,2],[0,2,0],[2,0,0]])
o=OrientedLattice(6.,6.,6.)
print o.a()
print o.getU()
o.setUB(ub)
print o.a()
print o.getU()

[Martyn Gigg]

(In [12568]) Refs #455. We currently don't have a debug build of numpy on Windows as it difficult to build and we don't have the dependencies. Removing numpy import_array code that is already in another place, MantidVecHelper::initializeDependencies and moving the boost::python::numeric::array call to join it so that Mantid works in debug on Windows.

[Mathieu Doucet]

(In [12584]) Clearing warning Re #455

[Janik Zikovsky]

(In [12618]) Refs #455, Fixes #3195: ISAW peaks file's HKL's are flipped so as to be consistent with internal Mantid representation of Q = ki-kf. Fixed the LoadIsawUB so that the U matrix is a pure rotation (no -1 factor).

[Peter Peterson]

I can do the example script supplied and predict peaks from a loaded ub matrix.

[Stuart Campbell]

This ticket has been transferred to github issue ​1303