Martin Diehl
31579b3f88
tolerances caused problems, introduced new funtionality based on np.allclose
2015-10-22 05:59:11 +00:00
Franz Roters
b676ed0085
support for Marc 2010 was dropped a long time ago
2015-10-20 13:32:48 +00:00
Franz Roters
a087eedd54
added support for Marc2014.2 (so far installed on maws14 only)
2015-10-20 13:25:59 +00:00
Martin Diehl
e72ae63873
geom canvas crashed for some parameters, now giving error message. table class now handles dismiss correctly
2015-10-14 21:35:56 +00:00
Philip Eisenlohr
7df8d95cd0
slightly cleaner way of dealing with disorientation calculation when axis not required to fall into SST.
2015-10-09 13:03:10 +00:00
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