Commit Graph

304 Commits

Author SHA1 Message Date
Philip Eisenlohr 26f8f74310 undone np.unique of columns since this would introduce the unwanted side-effect of (messily) sorting columns. user expects to get sorting as provided through command line. 2015-10-09 12:55:30 +00:00
Martin Diehl 4c46d155ec line continuation not needed 2015-10-09 10:24:17 +00:00
Martin Diehl 61090c955d removed code doubling 2015-10-09 05:51:58 +00:00
Martin Diehl 851d2e1b2c prevent to load columns more than once\n @Philip: OK? 2015-10-08 17:47:00 +00:00
Philip Eisenlohr 3b0dc374bb now using ‘emph’ in reporting function instead of code doubling. 2015-10-07 01:07:56 +00:00
Philip Eisenlohr 801d57af4c fixed buggy behavior caused by assigning string instead of single-item list to readBuffer. 2015-10-07 01:03:26 +00:00
Martin Diehl 6e05082133 might be needed in multicore env 2015-10-06 18:01:31 +00:00
Martin Diehl 95a8b54996 buggy behavior when read buffer contained string (len > 0, but no pop() method)
@Philip: please check if intended behavior
2015-10-06 16:19:37 +00:00
Philip Eisenlohr e089e60202 transparently deal with one-dimensional array output 2015-09-30 18:44:54 +00:00
Philip Eisenlohr b2243ae3c1 small polishing 2015-09-29 22:25:57 +00:00
Martin Diehl 948aa0c544 was missing in last commit 2015-09-24 10:01:15 +00:00
Philip Eisenlohr 2aa1073949 relocated “croak” and “report” functionality to here. needs to be altered in all scripts that still use the ASCIItable class for those… 2015-09-22 21:00:18 +00:00
Martin Diehl 6a3a0f3859 allow asciitable to use file handle instead of string (following e.g. numpy.genfromtxt) 2015-09-16 19:44:11 +00:00
Harsha Phukan 24bd3a6eee added “non-strict” version to find disorientation, neglecting the search for axis falling into SST (has linear instead of quadratic effort). 2015-09-16 17:07:02 +00:00
Harsha Phukan 8a05584924 bg.message does not require symbol selection anymore—will pick random if nothing specified… 2015-09-15 19:02:00 +00:00
Martin Diehl 5f9fae1b75 simplified reporting using "emph" 2015-09-11 12:55:43 +00:00
Philip Eisenlohr 31bb27268c removed dangerous property overload (.asQuaternion() —> .quaternion) 2015-09-09 22:37:18 +00:00
Tias Maiti 7495b33b68 label_dimension dropped indices >9 due to buggy string comparison… 2015-09-08 23:12:45 +00:00
Chen Zhang ba418a5c97 reflect recent changes in orientation class 2015-09-03 16:50:49 +00:00
Tias Maiti eb5ad7528f fixed bug in asEulers() output in degrees 2015-08-29 23:22:32 +00:00
Martin Diehl 6848d83d13 behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name.
functions in the core module are not used, including kdTree
2015-08-28 07:38:48 +00:00
Chen Zhang f4145dd505 add numpy header location in the setup script. 2015-08-25 18:06:36 +00:00
Philip Eisenlohr 636eb8a087 multiple fixes and improvements.
1) asAngleAxis got “degrees” switch, fixed buggy output for negative angles, now angles are always non-negative.
2) removed rotateBys.
3) asEulers corrected for cases w==z or x==y.
4) added method symmetryQuats.
5) calculation of disorientation (finally) fixed, returns tuple (disorientation quaternion, index symA, index symB, boolean whether A—>B or B—>A).
2015-08-24 13:39:09 +00:00
Philip Eisenlohr 858fe7e897 prevent closing sys.stdin or sys.stdout 2015-08-24 00:40:52 +00:00
Philip Eisenlohr 7ceb7f7614 fixed problem when reading single label through data_readArray 2015-08-23 23:18:34 +00:00
Philip Eisenlohr 681b7f0831 added ‘emph’ method.
additional background message animations.
2015-08-22 17:02:49 +00:00
Philip Eisenlohr 6ba76c3832 introduced public line object holding currently read data line as string.
label_append now has option to overwrite (reset=True) labels that were read originally.
data_writeArray maintains full significant digit representation as default.
2015-08-20 19:38:06 +00:00
Martin Diehl 22c52fbd32 cleaned core module 2015-08-12 18:48:09 +00:00
Philip Eisenlohr 93dd9f5c09 bug fix regarding self.tmpext.
added check for access rights when overwriting original file.
2015-08-12 18:41:44 +00:00
Martin Diehl a29240242b standard name for numpy is np 2015-08-12 18:32:28 +00:00
Philip Eisenlohr 64515d7aca simplified interface:
name == None: read from stdin
outname == None and not readonly mode: do in-place substitution of name (with transparent file renaming upon table.close)
2015-08-12 17:42:38 +00:00
Martin Diehl f9348398ce removed old file, added possibility to normalise euler angels to standard range, added svn properties 2015-08-12 15:15:33 +00:00
Martin Diehl 35863e0229 fixed averageDown and made it's test running 2015-08-12 13:43:05 +00:00
Martin Diehl 36caddcc24 adjusted to new ASCII table file handling 2015-08-12 12:51:47 +00:00
Chen Zhang 3991813595 fix syntax error regarding several static method 2015-08-10 21:08:00 +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
Chen Zhang dfe0991134 adding property alias for Orientation class to simplify syntax. 2015-08-04 20:38:06 +00:00
Chen Zhang 1ec3639cf1 use pure python implementation of orientation class as default 2015-08-02 17:49:38 +00:00
Chen Zhang fbb7f9b11b remove deprecated function from math.f90 2015-07-29 20:49:42 +00:00
Chen Zhang 9287d6f15f make the interface for Symmetry class compatible with pure python version. 2015-07-29 19:39:30 +00:00
Chen Zhang 5f74f3e95e add Cython version of orientation module to provide faster orientation calculation. 2015-07-29 19:23:06 +00:00
Chen Zhang 70606770d0 correct two typos in Quaternion class 2015-07-28 20:10:27 +00:00
Chen Zhang bfedf037c6 add asAngleAxis() to Orientation class 2015-07-22 21:49:24 +00:00
Chen Zhang 08f4495721 changed readArray default behavior to reading always scalars when columns are referenced by number 2015-07-21 20:44:40 +00:00
Philip Eisenlohr c46e639a38 fixed bug preventing first line to be read when using readArray without labels. 2015-07-09 03:40:15 +00:00
Yannick Naunheim 5fe65bfcc3 corrected OR models and set up simple test to check them 2015-06-29 16:02:56 +00:00
Martin Diehl 50bcfe6e0d possibility to give fixed seed to random orientation 2015-06-26 06:32:25 +00:00
Martin Diehl 6aaf074651 bug fix 2015-06-25 16:16:01 +00:00
Martin Diehl f10dfa311a fixed ORs 2015-06-25 12:00:08 +00:00
Philip Eisenlohr 2d8af638b0 added optional keyword `degrees´ to q.asEulers().
added methods inFZ, equivalentQuaternions, and equivalentOrientations to Orientation class.
general polishing…
2015-06-21 12:05:17 +00:00