Commit Graph

12 Commits

Author SHA1 Message Date
Philip Eisenlohr 0db4a7fad0 added debug messages.
added background message for estimated time (+ grain info).
fixed functionality—finally works as intended (lump orientations within threshold).
2015-11-20 16:27:57 +00:00
Martin Diehl f4c53e0be8 removed warnings by pyflakes, implemented new croak functionality 2015-09-24 15:34:27 +00:00
Martin Diehl 0c7f4e690a fixed reference, still not 100% sure if everything is correct, but apparently the test never run 2015-09-12 16:30:28 +00:00
Martin Diehl c53bf02fea changed back to old behavior 2015-09-11 15:38:03 +00:00
Philip Eisenlohr c69e7ec149 switched conjugation to apply to symmetric equivalents instead of incoming quaternion.
passing-down of degree option handled directly.
2015-09-09 22:43:56 +00:00
Philip Eisenlohr 63d5506388 adopting further simplifications provided through ASCIItable class. 2015-08-20 19:42:05 +00:00
Philip Eisenlohr dfbd2fd013 fixed bug for STDIN processing 2015-08-12 21:28:07 +00:00
Philip Eisenlohr 8217fdb115 adopted recent changes to API in ASCIItable. 2015-08-12 18:56:40 +00:00
Philip Eisenlohr d4e748b654 outsourced multiple repetitive functions into ASCIItable class.
changed ASCIItable API from file-handles to filenames.

adopted these changes in pre and post processing scripts.

unified behavior and look.

fixed bugs here and there.

improved functionality.
2015-08-07 19:03:26 +00:00
Philip Eisenlohr d676fdc1ce fixed default behavior of symmetry. used to advertise having cubic symmetry but was using []. 2015-07-10 16:58:30 +00:00
Philip Eisenlohr fcdd80bba3 switched order of command line options to make consequence of “degrees” switch more clear, i.e., it affects both the tolerance and Euler angles… 2015-06-29 09:40:44 +00:00
Philip Eisenlohr e310763c52 Novel script to generate geometry description and material configuration from position, phase, and orientation data in an ASCIItable.
Can deal with phase-specific lattice symmetry, condenses orientations within a given angular threshold, and might be used in lieu of geom_fromANG when replacing the ANG header.
2015-06-21 11:56:05 +00:00