Ticket #829 (closed: fixed)

Opened 11 years ago

Last modified 5 years ago

Class for crystallograhic Unit-cell

Reported by: Laurent Chapon Owned by: Andrei Savici
Priority: major Milestone: Iteration 28
Component: Mantid Keywords:
Cc: Blocked By:
Blocking: Tester: Owen Arnold

Description

Class that enables to describe a crystal unit-cell, the reciprocal lattice, etc... and transformations between real space, Q space and orthonormal systems

Change History

comment:1 Changed 11 years ago by Nick Draper

  • Milestone changed from Iteration 19 to Iteration 20

Moved as part of the end of Iteration 19

comment:2 Changed 10 years ago by Nick Draper

  • Milestone changed from Iteration 26 to Iteration 27

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

comment:3 Changed 10 years ago by Andrei Savici

  • Status changed from new to assigned
  • Owner changed from Laurent Chapon to Andrei Savici
  • Component set to Mantid

comment:4 Changed 10 years ago by Andrei Savici

  • Status changed from assigned to accepted

comment:5 Changed 10 years ago by Andrei Savici

  • Milestone changed from Iteration 27 to Iteration 28

comment:6 Changed 10 years ago by Andrei Savici

(In [10187]) Implementation of a crystallographic unit cell class. Refs#829

comment:7 Changed 10 years ago by Stuart Campbell

Commit message by Andrei that is missing...

[10409]: Fix some errors. Added tests for UnitCell. Refs #829

comment:8 Changed 10 years ago by Andrei Savici

(In [10599]) Changed order so PythonAPI is compiled last. This is in order to add Python bindings for UnitCell class. Refs #829.

comment:9 Changed 10 years ago by Andrei Savici

(In [10601]) Python bindings for UnitCell class. Need to add export for matrices. Refs #829.

comment:10 Changed 10 years ago by Andrei Savici

(In [10665]) Moved UnitCell class to Geometry/Crystal. Refs#829 and #2789

comment:11 Changed 10 years ago by Andrei Savici

(In [10668]) Deleted UnitCell from Crystal. Refs #829 and #2789

comment:12 Changed 10 years ago by Andrei Savici

(In [10675]) Seems like some builds fail since I included UnitCell in geometry. It was already defined in MDGeometryBasis.h. Refs #829.

comment:13 Changed 10 years ago by Andrei Savici

(In [10676]) Export Matrix to numpy array. Needed for UnitCell.Refs #829.

comment:14 Changed 9 years ago by Andrei Savici

(In [10753]) UnitCell python bindings.Refs #829.

comment:15 Changed 9 years ago by Andrei Savici

(In [10773]) some documentation for helpers for UnitCell. Refs #829

comment:16 Changed 9 years ago by Andrei Savici

(In [10839]) Updated documentation for UnitCell. Moved functions from UnitCell.h to UnitCell.cpp. Refs #829

comment:17 Changed 9 years ago by Andrei Savici

  • Status changed from accepted to verify
  • Resolution set to fixed

To do: tests for the python bindings. This will be done at the same time as the UB matrix #455

comment:18 Changed 9 years ago by Andrei Savici

Suggestion for testing: use MantidPlot. At the script interpreter use: lat1=UnitCell() or lat2=UnitCell(2,3,4) or lat3=UnitCell(2,3,4,0.5*math.pi,0.5*math.pi,0.5*math.pi,Radians) Then try some of the functions

comment:19 Changed 9 years ago by Andrei Savici

(In [10872]) Moved Doxygen documentation from UnitCell.h to UnitCell.cpp. Refs #829

comment:20 Changed 9 years ago by Andrei Savici

(In [10874]) Fix some names for UnitCell. Refs #829

comment:21 Changed 9 years ago by Owen Arnold

  • Status changed from verify to verifying
  • Tester set to Owen Arnold

comment:22 Changed 9 years ago by Owen Arnold

  • Status changed from verifying to closed

Class does as the ticket states. Tests covering dynamic behaviour run without issue.

comment:23 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​1677

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