Generate Q-vector file for Schultz

[Peter Peterson]

Here is the email he sent with the request:

Just to follow up, I would like to have a Mantid algorithm that produces an event file list of Qx,Qy,Qz for each event. The Q coordinates are not pixels or voxels, but just calculated coordinates. In ISAW, this is accomplished with the EventToEventQ operator created by Dennis.

Below is a portion of a Python script which reads the binary file.

     # Read the events from binary file--------------------------------
     events_fname = events_directory + 'TOPAZ_' + srun + '_EventsToQ.bin'
     input = open(events_fname, 'rb')
     print 'The EventsToQ.bin file is ' + events_fname
     print ''
     numberOfEvents = 0
     while True:
         # if numberOfEvents == 1e05: break

         lineString = input.read(12)
         if lineString == "": break
         Qx, Qy, Qz = struct.unpack('fff', lineString)  # unpack binary data
         numberOfEvents = numberOfEvents + 1
         if (numberOfEvents % 100000) == 0: print '\rEvent %.3e'  % numberOfEvents,

[Peter Peterson]

Re #6120. New algorithm for saving Q-vector file for Art.

First full version of the algorithm and tests. See the ticket for more info on what it actually does.

Changeset: c13bd2f41b4f24cec2ea71c3216fc34b55adeebe

[Peter Peterson]

Re #6120. Removing commented out code.

Changeset: e5fbe07aa64f0c45e8e55aa3b9331a9821c3986c

[Peter Peterson]

Re #6120. Forgot to convert to -1.*Qvector.

Changeset: 46fc5cc70df2acc76a202b8c411d7339df8873b9

[Peter Peterson]

Re #6120. Fixing snowleopard build.

Mac's version of ofstream's constructor requires a c-string.

Changeset: 4f966f75fb31448baecac82534d05879e140965e

[Peter Peterson]

Re #6120. Added ISAWcoords and right-handed options.

Since these are points that people may have different opinions on, allow for user selection.

Changeset: b9cf1fcef39a753d055ab42cc5f0268a3c2f5de4

[Peter Peterson]

Re #6120. Correcting the coordinate transformation.

Changeset: f3a9a401ebd98564c505c58fe151a88deee47c6a

[Peter Peterson]

Re #6120. New algorithm for saving Q-vector file for Art.

First full version of the algorithm and tests. See the ticket for more info on what it actually does.

Changeset: a760dc7c4672ab06c7ed4f0a8f330aeaf558accd

[Peter Peterson]

Re #6120. Removing commented out code.

Changeset: 6176ec80f63bd278e95f83f0b39cb43309f3e59c

[Peter Peterson]

Re #6120. Forgot to convert to -1.*Qvector.

Changeset: eadb46c7489813c9ce46e0c719dbbd4db5afa2d7

[Peter Peterson]

Re #6120. Fixing snowleopard build.

Mac's version of ofstream's constructor requires a c-string.

Changeset: 94af17fffc511bc69e99edefaa001bfb554a1532

[Peter Peterson]

Re #6120. Added ISAWcoords and right-handed options.

Since these are points that people may have different opinions on, allow for user selection.

Changeset: 58fded08e5c98073b22439f166593688394aff71

[Peter Peterson]

Re #6120. Correcting the coordinate transformation.

Changeset: c2560f050a2501c37c5a3edf71e9ecab82d6a398

[Vickie Lynch]

Easily creates a large binary file of events. I assume Art has checked that these numbers are OK.

[Stuart Campbell]

This ticket has been transferred to github issue ​6966