File: NEWS

package info (click to toggle)
gnome-chemistry-utils 0.14.9-1
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 17,836 kB
  • ctags: 7,337
  • sloc: cpp: 72,977; sh: 11,381; xml: 6,304; makefile: 1,663; ansic: 1,061
file content (632 lines) | stat: -rw-r--r-- 19,115 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
Version 0.14.9:
	GChemPaint:
		* Ensure that the document size is always updated. [#43091]
	3d viewer and GCrystal:
		* Fix rotation. [#42977] (patch from Toni Andjelkovic)
	All applications:
		* Add appdata files.

Version 0.14.8
	GChemPaint:
		* Fix drawing with Gtk+ >= 3.10.

Version 0.14.7
	GCrystal:
		* Fix crash in dialogs with recent Gtk+.
	Mozilla plugin:
		* Fix crashers for 2D and 3D molecules.

Version 0.14.6
	3d viewer:
		* Avoid empty entries in recent list.
	CGchemPaint:
		* Restore .mol files support.
		* Fix CML import (also affected 3d viewer and >GCrystal).
		* Fix BMP export.
	GCrystal:
		* Fix test order in lines code. [#41261]
	GSpectrum:
		* Fix access to uninitialized data.
		* Don' double free a string.
	GOffice component:
		* Don't crash when editing after saving a GChemPaint object.
	Mozilla plugin:
		* Fix supported mime-types list. (see Debian bug #716961)
	Other:
		* Fix build on FreeBSD (Koop Mast). [#41256]

Version 0.14.5
	GChemPaint:
		* Make adding template work again.

Version 0.14.4
	GChemPaint:
		* Do not use a NULL atom properties. [#40194]

Version 0.14.3
	GChemPaint:
		* Really close the window on delete event.
		* Don't crash when aligning ungrouped objects.
	GChemTable:
		* Fix crash when using masses in a graph.
		* Fix graph behavior after edition.
	All:
		* Make sure to not create a C++ locale from a NULL string.

Version 0.14.2
	GChemPaint:
		* Fix crash when loading some molecules (was introduced in 0.14.1).

Version 0.14.1
	GChemPaint:
		* Do not allow a mesomery destruction when inside a reaction.
		* Fix molecule deletion inside a mesomery.
		* Fix reactant deletion inside a reaction.
		* Don't crash when a mesomery inside a reaction is destroyed.
		* Check molecule consistency when loading, avoids a stack overflow.
		* Enhanced representaion of chiral molecules imported from CML and other
		formats.
		* Fix crash when deleting a cyclic bond.
	GCrystal:
		* Fix row selection operations order in grids.

Version 0.14.0
	GChemPaint:
		* Fix reaction construction.
		* Fix non bonding electron pairs.

Version 0.13.99
	GChemPaint:
		* Fix squiggle bonds period.
		* Allow brackets around a mesomery.
		* Allow a mesomery inside a reaction.
		* Fixed some meomory access issues.
		* Fixed crash when loading a group.
		* Fixed mesomery construction.
		* Fixed crash when ungrouping.

Version 0.13.98
	GChemPaint:
		* Don't freeze after an aborted molecules merge.
		* Initialize the bond order for the Newman projection tool.
		* Don't crash when adding brackets around a fragment.
		* Fix undoing a molecule partial flip.
		* Fix bracket stoichiometry index position after a transform.
		* Fix explicit lone pairs count evaluation.

Version 0.13.92
	GChemCalc
		* Updated the documentation.
	GChemPaint:
		* Fix View::BuildSVG() and View::BuildEPS() which were missing the
		trailing 0.
		* Fix misleading error message while saving.
		* Fix loading of arrows inside a group. [#27032]
	GCrystal:
		* Apply element change to all slected atoms.
		* Updated the documentation.
	GSpectrum:
		* Add "Response factor" as supported unit.
		* Fixed widgets spacing.
		* Updated the documentation.
	GChemTable:
		* Updated the documentation.

Version 0.13.91
	3d viewer:
		* Show all menu items when a molecule is loaded from the command line.
		* Updated user documentation.
	GChemPaint:
		* Don't crash on startup.
	All:
		* Fix localization issues.
		* Fixed modal message boxes behavior.

Version 0.13.90
	3d viewer:
		* Fix import from pdb files. [#36582]
	GCrystal:
		* Fix infinite loop condition. [#36583]
		* Fix atomic radius change issue.
	GChemTable:
		* Fix languages translation.

Version 0.13.7
	GChemPaint:
		* Fixed crash when selecting the alignment item inside a mechanism
		step. [#35626]
	GCrystal:
		* Fixed loading CIF files using uptodate space groups descriptions.
	Other:
		* License is now GPL version 3 (except for the OpenBabel related code).
		* Fix build on big endian machines (Dan Horak). [#36175]
		* Updated API documentation.

Version 0.13.6
	GChemPaint:
		* fixed text position serialization. [#34947]
		* add some support for Newman projections.
		* accept some multisteps reactions.
	Goffice component:
		* Add support for 3D molecular structures.
	Other:
		* Fixed pixmaps installation directory. [#35272]
		* fixed build with ->l,--no-undefined. [patch #7677]

Version 0.13.5
	3d viewer:
		* Import from InChI or SMILES.
		* Export to GChemPaint and GChemCalc.
		* Generates InChI, InChiKey and SMILES.
		* Add access to databases.
	GChemPaint:
		* Brackets inside a molecule accept a stoichiometry coefficient.
	GCrystal:
		* Use multiple selection in atoms and lines dialogs.
	GSpectrum:
		* Allow markup in combo boxes and axes titles.
	Goffice component:
		* Add support for crystal structures.
	Other:
		* Fixed one more OpenGL related crasher.

Version 0.13.4
	All:
		* Ported to Gtk+-3.0.
	GCrystal:
		* Use the new GcrGrid item in atoms, lines and cleavages dialogs.
		* Make these and size dialogs instant apply.
	GChemTable:
		* Use a more complete tip window for elements.

Version 0.13.3
	GChemPaint:
		* Fixed build with gcc-4.6. [#32363]
		* Allow colored atomic symbols on a per-document basis.
		* Brackets tool now working, not perfectly though.
	Other:
		* Don't use POLLRDHUP when not defined. [#32768]
		* Split libgcu so that libgcu itself never calls gtk+ directly.

Version 0.13.2
	GChemPaint:
		* Do not allow document changes using keyboard while
		dragging the mouse. [#31812]
		* Don't add new molecules when undoing a mechanism arrow deletion.
		[#32433]
		* Removed the Wikipedia tool which was obsolete.
		* Reorganized molecule contextual menu with new 3D options
		and databases access.
	Other:
		* OpenBabel support has been moved to a separate process and greatly
		enhanced, specially for 3D export from gchempaint.
		* A lot of bugs have been fixed.

Version 0.13.1
	GSpectrum:
		* Loads NUTS files.
		* Transforms FID to spectrum.

Version 0.13.0
	GChemPaint:
		* New "lasso" tool to allow partial selections.
		* New "brackets" tool (doesn't work yet).
	Other:
		* libgcr: new library for GCrystal.
		* Fixed all bugs discovered in the 0.12 banch.

Version 0.12.0
	GChemPaint:
		* Fixed various text related minor issues.
		* Fixed fragment loading issues (both old and new format).
		* Don't crash after closing a file with selected objects.
		* Exit more cleanly.
	Other:
		* Add various mime types in desktop files.
		* Fixed some API documentation issues.
		
Version 0.11.98
	GCrystal:
		* Fixed a pair of space group issues.
		* Add CIF and CML files to recent files.
		* Survive CIF files with no space group or invalid atoms.
	Other:
		* Updated API documentation.
		* Fixed various memory leaks.
			
Version 0.11.91
	GChemPaint:
		* Don't crash when closing an orbital properties box. [#29559]
		* Fixed several undo/redo issues.
		* Really update the down bond tool icon when the convention is switched.
	Gnome Crystal:
		* Fix some space group related issues.
		* Never end with an empty recent file entry.
	GSpectrum:
		* Accept more spectrum type strings such as "UV/VIS SPECTRUM".
	GChemTable:
		* Add menus items for all pre-defined charts.
	Other:
		* Use Cn and Copernicium for element 112.
		* Updated user documentation.

Version 0.11.90
	GChemPaint:
		* Mechanism arrows support completed. [#21340]
		* Fixed various text related issues.
	Gnome Crystal:
		* Enhanced support for space groups.

Version 0.11.5
	GChemPaint:
		* Survive forward references to atoms. [#28515]
		* Add a menu item to hide atomic formal charge.[#26735]
		* Orbital tool supports p and d orbitals, support now complete.
		* More mechanism arrow support (not complete).
		* Enhance eraser tool (pre-highlight potential target).
	Mozilla plugin:
		* Supports CIF data as well as ChemDraw files.
	Other:
		* Fixed build when using GNU gold ld. [#28479]

Version 0.11.4
	GChemCalc
		* Fixed interpretation of strings such as Mn and Rn. [#28192]
	GChemPaint:
		* Allow for hash bond convention inversion. [#26810]
		* Implement mechanism arrow tool restricted to bond to adjacent atom
		electron move for now.
		* New Orbital tool (restricted to s type orbitals for now).
		* Fixed various bugs, especially atoms groups related ones.
	GChemTable:
		* Fix loading of ui files. [#27395]
		* Display element name when moving the mouse over a point in a chart.
	libgcu:
		* Do not access a NULL document when destroying an object.
	Other:
		* Fixed three typos in isotopes database. [#27619]
		* Revised Wikipedia theme (Matthias Mailänder).

Version 0.11.3
	GChemPaint:
		* Almost fully reimplemented with new canvas.
		* Enhanced atom groups (fragments).
		* Initial work on ChemDraw files export, both in cdx and cdxml formats.
	Gnome Crystal:
		* Export both cml and cif files (at least minimally).
	GCCV library:
		* New canvas is now functional.

Version 0.11.2
	GChemPaint
		* Texts now mostly work. Known regressions: multiline texts, underline
		and strikethrough.
	Other:
		* Needs the latest goffice development release.
		* Various fixes.

Version 0.11.1
	GChemPaint
		* More reimplementation using the new canvas. Texts now
		partially work.
	Gnumeric plugin:
		* New plugin, adds a molarmass function in gnumeric.
	libgcu:
		* Import space groups support from OpenBabel.
	Other:
		* The CML loader plugin now works, at least for 2d structures.

Version 0.11.0
	GChemPaint
		* Use the new canvas (brings in some regressions).
	GSpectrum
		* Correctly load negative values in (XY..XY) tables. [#24720]
		* Add a way to zoom vertically (Jordan).
	Mozilla plugin:
		* fix loading of spectra and 3d files.
	GCCV library:
		* Initial implementation of the new canvas.

Version 0.10.0
	GChemTable:
		* Implement save as image for curves (thanks to Jordan Matha who
		noticed that this feature was missing.
	Other:
		* Fixed a few API documentation issues.
		* Fixed miscellaneous typo and style issues in help files (Jordan).

Version 0.9.98
	GChemTable
		* Fixed display of data series with invalid values.
		* Fixed various help related issues.
		* Fixed a memory leak.
		* Updated the documentation.

Version 0.9.93
	GChemCalc
		* Updated the documentation.
	GChemPaint
		* Enlarge arrows when an attached object grows.
		* Fixed molecule contextual menu issues.
		* Fixed selection issues with atoms lacking a visible canvas item.
	GSpectrum:
		* Use reference point for varian nmr dx files.
		* New documentation.
	GOffice component:
		* Set the object height.
	Other:
		* Completed API documentation for libgcu and libgchempaint.

Version 0.9.92
	* Add theme support for tools icons. [#24382]
	* Updated GChem3d, GChemCalc, and Gnome Crystal help files.
	* More API documentation for libgchempaint.

Version 0.9.91
	* Fixed compilation on ppc and other big endian machines.
	* Downgraded intltool requirement to 0.37.1.
	* Updated GChemPaint help.

Version 0.9.90
	CGhemPaint:
		* Fixed issues about residues management.
	Gnome Crystal:
		* Add support for document properties.
	GChemTable:
		* Add Brazilian to known languages.
	Other:
		* Fixed some build issues (Daniel Leidert).

Version 0.9.6
	CGhemPaint:
		* enhanced cdx and cdxml files import. [#21112]
		* enhanced atoms and bonds drawing (no more a white rectangles
		under the atom symbol to hide bonds).
	GSpectrum:
		* the variables can now be changed in some instances, as absorbance
		to transmittance or vice versa.
	Other:
		* removed as much gnome-vfs code as possible and replaced it
		by gio/gvfs calls.
		* enhanced build system.

Version 0.9.4
	3d viewer:
		* export more image formats (ps, pdf, eps).
	calc:
		* initial support for ambiguous symbols .as Ac and Pr
	Gnome Crystal:
		* export more image formats (ps, pdf, eps).
		* enhanced cif files import.
		* enhanced radii support.
	CGhemPaint:
		* export more image formats (ps, pdf) and enhanced eps support.
		* no more white rectangle under atoms symbols.
		* correctly detects the mime type, even if the file doesn't
		exist. [#22686]
		* accept file names with spaces for files opened using
		OpenBabel. [#22695]
		* enhanced cdx files import.
	GChemTable:
		* customizable charts.
	Mozilla plugin:
		* added support for GChemPaint and JCAMP-DX files.
	GSpectrum:
		* add support for mass spectrum.
		* load nmr spectra using jcamp-dx 5.x NTUPPLES.
		* made possible to change the x coordinates and to display only
		part of the spectrum.
		* initial support for NMR fids.

Version 0.9.3
	3d viewer:
		* show multiple bonds as multiple cylinders
		in ball and stick mode.
		* prints using GtkPrint.
		* Loads files using GIO.
	calc:
		* display molar and monoisotopic masses with more digits.
		* prints isotopic pattern chart.
	CGhemPaint:
		* Fix loading of double reaction arrows. [#22223]
		* prints using GtkPrint and Cairo.
		* enhanced loaders for cdx and cdxml files.
		* initial support for nicknames and generic symbols in
		molecules. [#21728]
		* Do not crash after failing to merge two molecules. [#22485]
	Gnome Crystal:
		* prints using GtkPrint.
	GSpectrum:
		* prints using GtkPrint.
	periodic table:
		* prints charts using GtkPrint.
	libgcu:
		* new classes: gcu::Printable, gcu::PrintSetupDlg for
		GtkPrint support.

Version 0.9.2
	3d viewer:
		* Add wireframe mode.
		* Really implement command line options.
	calc:
		* support abbreviations (at least those that are
		not ambiguous).
	GChemPaint:
		* SVG export does not work for radicals. [#21715]
	Gnome Crystal:
		* Fix print and image export [#21946] (also concernes 3d viewer).
		* Don't crash when changing an element in the atoms dialog [#21576].
	GSpectrum:
		* New program.
	Other:
		* Fix compilation with gcc-4.3 snapshot [#21764].

Version 0.9.1
	3d viewer:
		* Add cylinders mode.
	GChemPaint:
		* use keyboard to change the nature of an atom [sr #105937].
		* use the AltGr key to change the default orientation of a
		new bond.
		* use the keyboard to change the default length of a new 
		chain to some current values (2 to 10).
		* add a new theme to support ACS standards (Takashi Suyama).
		* new API to create residues.
	Gnome Crystal:
		* Initial support for CIF files (needs OpenBabel-2.2.x (svn trunk)).
	Periodic table:
		* graphs can be customized (a very unstable feature).
	Library:
		* Display of 3D models rewritten, using code from libavogadro
		(thanks to B. Jacob).
		* New gcu::Residue class, for use in both calc and GChemPaint.
	Other:
		* use Aplications|Education|Science for help files.

Version 0.9.0
	3d viewer:
		* new icons (Jordan Mantha).
	calc:
		* new icons (Jordan Mantha).
	GChemPaint:
		* incorporated in the Gnome Chemistry Utils.
		* new Wikipedia experimental export plugin.
		* copy as bitmaps.
		* a text or a molecule can be attached to a
		reaction arrow.
	periodic table:
		* graphs can now be printed.
		* new color schemes (Jordan Mantha).
		* new icons (Jordan Mantha).

Version 0.7.5
	periodic table:
		* add a widget to control family color scheme (Jordan Mantha).
	Library:
		* add a new DialogOwner class and make the Application and
		Document classes derive from it.
	Other:
		* add or update API and applications documentation.
		* fixed various issues in both the library and the applications.

Version 0.7.4
	3d viewer:
		* add recent files support.
		* image export at any resolution.
	Gnome Crystal:
		* add recent files support.
		* image export at any resolution.
		* share more code with the 3d molecules viewer.
	periodic table:
		* add new color schemes to the table (thanks to Jordan Mantha
		for his help with this feature).
	Library:
		* extend color schemes mechanism in the GtkPeriodic widget.
		* now parse all BODR data in element class.
	Other:
		* fixed various build issues (Daniel Leidert).

Version 0.7.3
	3d viewer: open several documents at once, and use new 3d classes
	in the library..
	Gnome Crystal: use the new 3d classes and macros in the library.
	periodic table: display melting and boiling points (needs bodr-4).
	Library: some new classes used for 3d display in both Gnome Crystal
	and the 3d viewer; also some new macros related to get/set class
	properties and GConf entries.

Version 0.7.2
	Fix a 32 bits compilation issue.

Version 0.7.1
	Gnome Crystal: changed the user interface for a more HIG compilant one.
	Library: various little changes to the gcu::Application and
	gcu::FileChooser classes.
	Database: fixed bromine molar weight.

Version 0.7.0
	fixed --version command line option.
	fixed some build issues.
	include Gnome Crystal.

Version 0.5.4
	periodic table: display atomic radii, copy charts to other apps.
	mozilla plugin and 2d viewer: support background changes
	and spacefill model display.
	gchemcalc: copy isotopic patterns charts to other apps.
	
Version 0.5.3
	periodic table: display ionization energy and electron affinity.
	mozilla plugin: display pdb and mol files, and support limited
	bgcolor and display3d properties.
	gchemcalc: accepts a formula from the command line.
	3d viewer: new menus entries and command line options for
	background color and display mode.
	GtkComboPeriodic: new periodic table combo box.
	Some minor bugs fixed.
	New translation: ru (thanks to Valek Filippov).

Version 0.5.2
	Correct mean molecular mass for isotopic patterns of macromolecules.
	Add a periodic table application.
	Add a mozilla plugin skeleton.

Version 0.5.1
	Add mass composition and isotopic patterns to Calculator.

Version 0.5.0
	New Formula class.
	New Calculator program.
	Enhanced 3d molecular viewer.
	The database has been split.
	Various bugs fixed and api enhncements..

Version 0.3.2
	Several bugs fixed, essentially in Object class.
	Changed signature of Object::OnSignal. Leads to a compatibility break.

Version 0.3.1
	Object class has been extended with new functionalities (signals and links), and
	Object contextual menu now uses GtkAction based menus.
	Several bugs and memory leaks have been fixed.
	Support has been added for shared mime info but
	mime types tree will be polluted with chemical/* types.

Version 0.3.0
	The libraries have been merged into one.
	A new Document class.
	The Object class has been enriched with a hierarchical rules api (for example a molecule
	must contain at leat one atom and an atom cannot contain a molecule).
	Several bugs fixed.
	Default colors for some elements have changed to be compatible with a new
	coloring scheme common to several open source projects.

Version 0.1.7
	Added a maximum number of bonds for atoms.
	Added some documentation.
	Some code cleaning in crystalviewer directory.
	Some bugs fixed.

Version 0.1.6
	Added bgcolor property to GtkChem3DViewer
	Several bugs fixed.

Version 0.1.5
	Many bugs fixed in the radii database stuff
	Change of coordinates in GtkChem3DViewer

Version 0.1.4
	New chem3d widget and bonobo server do display 3d molecular structures
	Atomic radii and electronegativities added to the elements database

Version 0.1.3
	Many API changes, see ChangeLog.
	
Version 0.1.2
	Minor changes to the Object and Atom classes.
	
Version 0.1.1
	All APIs has been thoroughly revised.

Version 0.1.0
	First release of Gnome Chemistry Utils