Known Bugs in Diamond Version 3.2k
The latest version of Diamond is version 3.2k, released
on November 5, 2014. This version is an intermediate
update version and resolves some bugs as well as offers some minor
changes.
Version 3.2k is available as a software patch for users who are still
using version 3.0 through 3.2i (see Update page). Note: A
version "3.2j" was skipped.
Please note: Some more bugs are still left and known and thus listed below, together
with workarounds, if possible. Bugs found or reported after November 5, 2014 are emphasized and
use a date as suffix. Comments from the developer are given in blue.
Severe bugs
- Diamond crash when you click on a row in some tables: A crash appears on some (but
not all) Windows 10 PCs when you click into a row of a table (cf. "View"/"Table"
sub-menu, e.g. "Table of created atoms"), or a row in the distances/angles table
or reflection parameters table or into an atom site table (which appears in several
dialogs, e.g. "Add Atoms" dialog).
Workaround: A software patch is available, see
Diamond 3 Update page. [28 Nov 2016]
- Moving toolbars causes Diamond
to freeze: Some users reported that Diamond crashes or hangs up or freezes
when the user tries to move a toolbar to a different position. We at Crystal Impact
can reproduce this bug on Windows versions Vista, 7, and 8[.1]. (It apparently does
not happen on Windows XP.) In most scenarios, Diamond refuses to let the (floating)
toolbar dock to any position, so it keeps in a dead-end loop and must be closed
with the Task Manager.
Unfortunately, there is no workaround and no simple and quick
solution of this problem available! We are working on the problem and are looking
to find a solution.
If you intend to bring the toolbars back into their default positions (after inadvertent
re-arrangement, for instance), run the command "View" -> "Toolbars" -> "Set
Defaults". [Jun 17, 2014]
- Diamond crash right after start: Some users
report that Diamond crashes when it is started and before a file is
opened or new data are entered. The problem persists even after new
installation. Reason: A (not yet known) bug in Diamond writes erroneous
settings into the Registry. See also "Bugs resolved
in version 3.2" below.
Workaround:
1) Open the Registry by running the command "regedit" from the Windows Start
menu ("Start" -> "Run...").
2) In the tree view in the Registry editor, go to
"HKEY_CURRENT_USER\Software\Crystal Impact\Diamond 3".
3) (This is not necessary for the workaround but may help us to find the error:
Run the "File/Export..." command and save the "Diamond 3" node as a REG file
and send us that file in an email attachment. Maybe we can reproduce the crash
on one of our systems.)
4) Delete the branch "Diamond 3", or rename it (if you want to keep a
copy) to e.g. "Diamond 3 old".
When you now start Diamond 3, it should run with "factory default settings",
like after the first installation. [Jun 8, 2005]
- Frequent Diamond crashes: Some users report that Diamond crashes
frequently in various functions (though it worked correctly before). This has in
most cases the same reason as described above, so you should try the workaround
described above.
- At least one user reported that after
an update from e.g. version 3.0e to 3.1e no more space group information is available.
Workaround:
(Re-)install the latest (demo) version from our web server:
1) Make a backup copy of your license file, e.g. copy "yourlicense.lic" from your
Diamond program directory to e.g. "C:\Temp".
2) Uninstall Diamond. (Start -> All Programs -> Diamond 3 -> Uninstall
Diamond 3)
3) Download and install current demo version from:
http://www.crystalimpact.de/diamond/download.htm
4) Write back your "yourlicense.lic" file to "C:\Program Files\Diamond3"
in order to replace the demo license file.
(Note: Your "latest settings" (recent files, atom colors, etc.) remain, because
these are stored in the Windows registry and not removed during uninstallation.)
-
At least one user reported that
Diamond crashes when in (distances, angles) measuring mode right after you
click the last (2nd, 3rd., rsp.) atom each. (The result is written in
the status bar but the info tip window does not appear.) [Jul 6, 2006]
Another user reported that Diamond does not crash but hangs up in that
situation. [Jul 11, 2006].
The following workaround suppresses the info tip window:
1) Close Diamond, if it is still running.
2) Open the Windows Start menu and start the Registry by entering
"regedit" after the "Run..." command.
3) In the registry tree, go to "HKEY_CURRENT_USER\Software\Crystal
Impact\Diamond 3\Picture View".
4) In the list on the right half, add a new "DWORD value" with the "New"
command of the context menu. This new value must be named "EnableMeasureTip"
and have the value 0. (1 enables the measure info tip window.) [Jul 12, 2006]
-
If you import the file "faujasite.cif" in the "Tutorial" folder and let Diamond
create a picture automatically, the program will crash. The primary reason is
the false non-centrosymmetric setting of the space group.
-
Crash reported on some computers when drawing in rendering mode.
(It does not appear when drawing the same picture in flat mode.)
We can reproduce the crash on one of our computers (runs with
MS Windows 98). It does not appear, if you switch off "double
buffering" ("Tools -> Options -> Desktop"), but remains when printing or
saving into a graphics file. [Oct 15, 2004]
On at least one computer the problem remains even when switching off "double
buffering". [May 31, 2006]
Less severe bugs
-
Molecule creation:
-
The number of atoms created during the molecule creation process (e.g. with
"Build/Get molecules...") reported in the status bar does often not match the
real number of created atoms.
Workaround: Check the table of created atoms ("View/Table/created atoms") for
the real number of (created) atoms.
-
The command "Get molecules directly"
(toolbar button or Shift+Ctrl+M) sometimes does not create
molecules or complete fragments to molecules.
-
Moving:
-
When you use central projection
(perspective), you may enter small values, e.g. "20" (cm) in the
"Picture/Representation..." dialog but it is actually rejected to at least 25
cm, if you press '+' or '-' on the numeric keypad.
-
When you try to shift a structure
picture with '8', '6', '4', or '2' on the numeric keypad (with NumLock on), it
rotates rather than shifts when the SHIFT key (used to accelerate for factor
5) is involved. Without SHIFT and with CTRL key it works
correctly.
- Atom and bond labels:
-
Bond labels do sometimes deviate
significantly from their correct positions in rendering mode but not in flat
mode. (The selection box as well as info tip appear at the correct positions,
each.)
-
Besides this, atom and bond labels do often deviate slightly from their
correct positions when using both rendering mode and
central projection. This makes it difficult to select them with a mouse
click.
- Coordinate system (cf. "Objects"/"Coordinate System...") in rendering mode:
- The coordinate system is not displayed, if you
use central projection in context with a high camera distance value. [Apr 19, 2014]
Workaround: Either decrease the camera distance value or change to parallel projection.
- The weight of the axes' cylinders as well as the distance of the labels from the
axes' peaks are not scaled in the right unit. This may be not noticeable, unless
you use big bitmap or page sizes ("Picture"/"Layout...") in context with zoom values
(cf. "View"/"Zoom...") deviating significantly from 100 percent.
-
Printing:
-
Some users report a problem when printing a structure picture. The picture has
a miniature size of approximately 1 x 1 cm only. It obviously appears only in
rendering mode. Obviously the 2nd, 3rd etc. printing after the erroneous
printout is o.k. It is also o.k, if you run a print preview before the actual
printing.
-
POV-Ray:
- When you use labels, the rendering
may fail, because Diamond exports the font name but POV-Ray expects the file name
of the corresponding truetype file.
Workaround: Run "Tools/POV-Ray/Launch Environment" and replace
the for instance "text { ttf "Times New Roman.ttf [...]" by "text { ttf "Times.ttf
[...]".
-
When you do a POV-Ray preview (Tools/POV-Ray/Preview or from
Tools/POV-Ray/Global Settings -> Preview) or render into a bitmap
(Tools/POV-Ray/Render Into Bitmap), there might be a situation where no graphic
is displayed or created.
The critical point is that "POV-Ray for Windows" has a developer
user interface ("pvengine.exe") and there is no separate "kernel"
executable for the rendering. So Diamond has to execute the
"pvengine.exe" and tries to hide as much of the developer user interface as
possible. (The splash screen cannot be hidden, reminding that POV-Ray is
freeware.) There are critical situations where "pvengine.exe" waits for user
input (and Diamond waits and waits...): a) When POV-Ray is started for the
first time after installation, it shows a "Tip of the day" dialog window. This
means, you should run POV-Ray at least once after installation before you let
Diamond launch it and disable the "Show Tip of the day next time" check box in
that dialog. b) If the automatic search for updates is active and you are
connected with the Internet and there is a newer version available,
POV-Ray also shows a dialog. We recommend to disable the option in
POV-Ray: "Options/Online Operations/Check For New Versions".
-
Other:
- There are several smaller bugs with the coordinate system that displays the current
orientation (cf. "Objects"/"Coordinate System..."): a)
- In the dialog "Colors", which is called
when you customize a color, e.g. from dialog "Atom Group Designs", the input fields
"Hue", "Sat", "Lum", "Red", "Green", and "Blue" may be hidden on some desktop systems,
e.g. MS Vista.
Workaround: Use the MS Windows default color selection dialog
instead. To enable this, use "Tools" -> "Options..." -> "Desktop" tab ->
Switch on checkbox "Common Windows dialog for "More colors..."".
- If you use the option "Transparent" on
the "Background" page of the "Picture/Layout" dialog, transparent objects may
still appear too dark or too bright in the target graphics file
when exporting the structure picture graphics into e.g. a TIFF file.
Workaround: If possible, switch off the option
"Transparent" when using transparent objects.
-
"Picture/Polyhedron Designs...": If more than one polyhedron is selected, the
preview sometimes reads "Not unique", although all selected polyhedra use the
same design settings.
-
On some computers, the toolbars reset when Diamond is started, i.e. they do not
appear at the positions they had the last time you closed Diamond.
Workaround: Go to the new command "View/Toolbars/Set Defaults..."
to re-arrange the toolbars in the default positions they had after first installation.
-
Dialog "Picture/Representation...": The controls on the three pages need to be
adjusted
-
The counts for atoms, bonds, polyhedra at the right end of the status bar
are still missing
-
On some Windows XP systems, the tooltips are sometimes not displayed correctly
-
On some Windows XP systems, the atom design preview is not displayed (but
black) in rendering mode (dialog from Picture/Atom Designs)
-
The copying of both graphics in Windows metafile format and Diamond 3 document
object now work but the "in-place" editing of a Diamond 3 document object in a
container application, such as Microsoft Word or PowerPoint, does not work yet.
Instead, if you want to change a Diamond object after embedding in a e.g. Word
or PowerPoint document, run the "Open Diamond 3 document object..." rather than
the "Edit..." command ("Edit" or context menu).
-
A long structure's or picture's title is not abbreviated when
displayed in navigation bar
Bugs resolved in version 3.2k
Version 3.2k was released on November 5, 2014. (Version "3.2j" was skipped.)
-
File import:
- The CIF data item "_space_group_name_H-M_alt"
(which supersedes "_symmetry_space_group_name_H-M") was not recognized (as Hermann-Mauguin
symbol). So space group recognition could
fail, if no additional symmetry operations were given or the attempt to recognize the space group from symmetry operations failed.
- CIF files created by Shelx 2013 could
cause trouble (hang-up or crash during file import), if they contained large data
blocks with diffraction data, especially "_shelx_hkl_file" data blocks.
- Atom and bond labels:
- If you used the "Use atom main color" option for atom labels, this could not be
changed afterwards when you edited the atom label. The reason was that the "use
atom main color" flag was not reflected correctly by the checkbox in the "Atom Labels"
dialog. (The checkbox also appeared in the "Bond
Labels" dialog, although it has no effect there.)
-
POV-Ray:
- The transparency option for bonds was not considered and thus not exported into
the POV-Ray scene (file), that means bonds appeared always opaque in the POV-Ray output.
- Atom and bond labels in a POV-Ray picture appeared shifted "to the north" relative to the original Diamond structure picture.
- Other:
- Some minor bugs in drawing the coordinate system (that shows the current orientation) were resolved.
- "Start" view: The links to the Diamond web pages now point to "v3update.htm" rather than "update.htm"
for instance.
Bugs resolved in version 3.2i
Version 3.2i was released on June 12, 2012.
- Some CIF files from ICSD were not read completely. Import canceled after bibliographic
data, thus no cell, space group and atomic parameter list were available. Example:
Barium perchlorate (ICSD collection code 24272).
Bugs resolved in version 3.2h
Version 3.2h was released on March 6, 2012.
- When you import a Shelx INS or RES
file, the FVAR variables #2, #3 etc. are ignored. Instead Diamond simply takes the
modulo of 10 of values of 10 or greater (or -10 or smaller, rsp.). This works fine
with e.g. site occupation factors that must not be refined, e.g. "11.0000" or "10.16667"
but not for e.g. "-22.0000", which means take FVAR variable #2 and run: 1.0 - fvar(2)
* 2.
- When the last three or more atoms in the
parameter list described the three or more components of one mixed site, the components
were considered multiple times. This lead e.g. to too big F values and intensities
in the powder pattern as well as to unreasonable informations in the legend of atom
types.
- Some improvements in space group recognition from Hermann-Mauguin symbols, especially
for symbols of rhombohedral space groups.
- Export into CIF format corrected: Translational components in symmetry operations
are now written as fractions, e.g. "x,y-1/2,z" instead of "x,y-0.5,z". (CIF/Platon
syntax checker complainted that.)
Bugs resolved in version 3.2g
Version 3.2g was released on February 8, 2011.
- Automatic structure picture generation:
- The automatic structure picture generation function could assign an atom type
a color different from what you previously defined in the "Picture/Atom Group Designs..."
dialog (with option "Save changes in Registry" on).
- Powder pattern:
- The structure factors (intensities)
could be calculated in a wrong way when a crystal structure is highly disordered.
In most of these cases it seems as if Diamond ignored the S.O.F. at all.
- POV-Ray:
- When you use fragmentated bonds, the
rendering of the POV-Ray picture could fail or produce wrong output (wrong orientation
of the bonds, whereas atoms are placed correctly).
Bugs resolved in version 3.2f
Version 3.2f was released on September 14, 2010.
- File import and searching:
- There was a severe bug in the "File/Search" dialog that could lead to wrong
results or even hang-up of Diamond.
- Several improvements were made in the CIF import filter.
-
Atomic parameter editing:
-
Diamond sometimes (or after a while) crashed when making changes to the atomic parameter
list. The bug could be fixed: the index of the "last edited atom of the parameter
list" could have an illegal number.
-
Powder pattern and distances and angles view:
- The powder pattern was not refreshed/updated
when changing the elment of an atom site or splitting a site to a mixed site. (It
was updated when changing atom positions or changing cell parameters or space group.)
- Powder pattern and distances table were not updated/recalculated after running "Edit/Undo"
or "Edit/Redo".
- Table (e.g. of created atoms):
- The selection in the table (e.g. table of created atoms) was not updated when
changing sort order by clicking on a column header. The selection could go completely
wrong when changing sort order through the data table settings dialog (so the selection
was not synchronized between structure picture and table).
-
POV-Ray:
- Thin bonds or cell edges could appear too thin or too thick because of wrong calculation
of Angstroem radius from line width (in mm).
- When you choose "glass" under the option "Use pre-defined POV-Ray material properties"
in the "POV-Ray" page of the "Material settings" dialog (which is called via "Material..."
from the Atom or Bond design dialog), no picture is rendered when you use one of
the commands in the "Tools/POV-Ray" submenu (preview, render into bitmap, etc.).
The same could happen when you then choose the "Define texture and interior manually"
(whereas that option has still worked before).
- When you ran "Tools/POV-Ray/Render Into Bitmap...", and unchecked the option "Open
graphics file after rendering", no target file (BMP or PNG) was created.
Bugs resolved in version 3.2e
Version 3.2e was released on May 5, 2010.
- Molecule creation:
- If the atomic parameter list contains
symmetry-equivalent sites (e.g. an import from Cambridge Structural Database), there
may be still two or more atoms and bonds at the same position each, when you run
the command "Build/Get Molecules..." with "Create molecules from atomic parameter
list" option (or directly via toolbar or Shift+Ctrl+M).
- Powder pattern:
- Structure factors (and thus also the intensitites) may be wrong when there are
mixed sites in the crystal structure.
Bugs resolved in version 3.2d
Version 3.2d was released on February 18, 2010.
- Molecule creation:
- The molecular creation function often did
not correctly consider atoms that have been disabled in the "Build/Filter..." function.
- Selected atoms and bonds were not
removed completely or correctly after call of the function "Build/Destroy/Fragments".
- When you imported molecules from a molecular (non-crystal structure) file, the bonds
defined there were not considered when you used the option to create a structure
picture automatically after import (option defined in the Structure File Import
Assistant). Instead Diamond defined its own connectivity which could deviate from the one defined in the file.
- Powder pattern:
- A powder pattern calculated for a crystal
structure with trigonal or hexagonal symmetry
often had too many reflections with
wrong multiplicities and thus wrong intensity ratios.
- When reflection parameters were exported in h,k,l,|F| format, the |F| column read
-999.
- Other:
- The standard uncertainty (s.u.) of
the cell volume was too big, if at least one
of the cell angles was different from 90 degrees and used s.u. Besides this, Diamond
now considers only the s.u. of the relevant cell parameters, e.g. only for a, c,
and gamma for a hexagonal cell.
Bugs resolved in version 3.2c
Version 3.2c was released on July 30, 2009.
- Diamond could hang or crash during the calculation of the planarity or least-squares
plane of four or more atoms, when these four or more atoms lie in a plane and were
symmetry-related, e.g. four atoms that form an exact rectangle in an orthorhombic
structure. (This could happen when atoms were selected and the option "Planarity
of selected atoms" was activated in the Properties view, or when measuring or defining
a plane (object).
- The relation between distance of atoms each from the l.s. plane and its standard
uncertainty is now given as '*', if no standard uncertainty is available (no s.u.
for cell and atomic positions).
Bugs resolved in version 3.2b
Version 3.2b was released on July 9, 2009.
- Connectivity:
No mean bond lengths were defined for structure data sets containing deuterium (and
tritium), thus a default effective radius was involved to define an X-D bonding
sphere, leading to (wrong) spheres strongly deviating from corresponding X-H bonding
spheres.
- Powder pattern:
No scattering factor coefficients were defined for deuterium, leading to weird structure
factors and intensities and sometimes caused Diamond to calculate for minutes or
to crash. Now D and T are re-directed to H, for neutron scattering D is assumed
for all hydrogen isotopes.
Bugs resolved in version 3.2a
Version 3.2a was released on June 24, 2009.
- Structure table:
- When you delete a structure from the
structure table (cf. "View/Structure Table") and you have multiple pictures (which
are displayed as thumbnails below the table) for a structure data set each, Diamond
may crash.
- Other:
- In the data sheet, only two digits
after the decimal point were given for the angles of the cell parameters.
Now there are four.
Bugs resolved in version 3.2
Version 3.2 was released on April 29, 2009.
-
Diamond crash when starting or re-starting:
- A frequent severe error was the abnormal termination of Diamond right after
start. (This could be superseded by erasing the Diamond 3 settings
from the Windows registry.) The main reason for this were temporary files that had
been created by the "Auto Save" function and were left by a Diamond or computer
system crash. (When Diamond starts, it attempts to restore a document from a temporary
auto save file.) These auto save files sometimes contained settings in a wrong format
causing another crash when trying to load again.
This is now superseded, once by fixing a format bug, and second, by asking the user,
whether he or she wants to restore a document from these temporary files. (If the
file still cause a crash, you should answer the question with "No" the next time
you start Diamond.)
- File import:
- If you opened/imported a crystal structure from a CIF file, the atoms of the parameter
list could get wrong assignments to atom type (e.g. atom "O 4" is interpreted as
iron), when "_atom_site_type_symbol" appeared
*before* "_atom_site_label" in the atomic parameter loop.
- CIF files from the Cambridge
Crystallographic Data Centre's CSD often contain symmetry-equivalent positions
in their "_atom_site_xxx" loops but Diamond expected an asymmetric unit.
Thus there could be too many atoms in the structure picture when using
the normal building-up functions like fill cell range, generate molecules, etc.
- File saving:
- Some users reported that no File Save dialog appeared (just a short flickering)
when running command "File/Save As/Save Document As..." or "...Save Graphics As...",
whereas "...Save Structure As..." worked. These users ran Diamond on Windows XP SP 3
under Parallels Desktop 3 under Mac OS X 10.5.6.
- No File Save dialogs did also appear under VMware Fusion on Mac OS X, as one user reported.
- The "Auto Save" function
-
Atom designs:
- In flat mode, the styles "Crescent", "Shadow",
and "Globe" were not displayed for
the atoms in the structure picture (but in the
legend, if you define these styles on atom group level).
- If two or more atoms were selected
having different transparency, and you called
the "Edit Atom Designs" dialog,
"-999" was given in the "Transparency" input field. (Using the up-down arrow
beneath adjusted this value between 0 and 1.)
- Labels and atom vectors:
- Labels and atom vectors, if defined, were displayed for invisible atoms in the flat
mode. In rendering mode, the label was not displayed, but the label could be selected
and the info tip showed info about it. Bond labels were drawn in flat mode, too,
for invisible bonds.
- Bond labels' relative positions (cf. "Objects/Bond Labels...") were not considered.
The labels could be shifted in rendering mode and the correct target position was
drawn but the selection rectangle appeared still at the wrong position.
- If one or more atom vectors had been defined and you deleted an atom or bond, then all atom vectors disappeared,
regardless the deleted atom had a vector or not.
- Copy/Paste:
-
The pasting of structural parts did often work incorrectly (cf. "Edit/Copy"
and "Edit/Paste"). In some cases Diamond crashed. If the copied part contained polyhedra,
these were not pasted into the target structure picture. There were sometimes no atom group
pairs in the target, making it impossible to edit the connectivity.
-
Powder pattern:
- When you copied the diffraction diagram
graphics to the Windows clipboard using the "Copy Diagram" command from the
diagram's context menu, the graphics was pasted incompletely or not at all into
other applications, e.g. MS Word. When you used
"Edit/Copy" from the main menu, the clipboard received a severe error. You could
not paste graphics nor selected row(s) from reflection table,
and further Copy actions in Diamond failed due to "error opening clipboard".
- When you decreased 2theta-max in
the "PowderPattern Settings" dialog, Diamond still drew the x-axis
up to the previous higher maximum 2theta value but calculated up to the new
lower 2theta maximum only.
- A user from sdpd@yahoogroups.com
reported: "I just tried to compare four different software: FindIt,
Diamond, PowderCell and FullProf to calculate structure for alpha-alumina using
ICSD #51687 file (Materials Science Forum (2001), 378, 288-293, Unit
Cell 4.7597(1) 4.7597(1) 12.9935(3)). I used the same geometry,
wavelength, profile parameters, no background, same space group settings. But
all four patterns have different intensity, and structure factors also (for
software that gives a possibility to get one). I cannot understand why the
structural factors differ. The visualized structures are exactly the same."
- Other:
- For space group "P42mc" (Int. Tables no. 105), the Wyckoff position "c" (2mm.: 0,1/2,z)
is given with the wrong multiplicity 4, but it should be correctly 2.
This leads to false calculated chemical formulas or densities.
- The sub-menu "Structure Picture" of the "View" menu listed a maximum of eight
pictures to select from. Now there is a new dialog under "View/Structure Picture/More Pictures...".
- The coordinate system (usually in then upper left corner, displaying the current
orientation) disappeared when using central projection and a large "camera distance"
(cf. "Picture/Representation" dialog, "Projection" page).
- On some Vista systems, the info tip window flickered when moving the mouse cursor
over an object.
Bugs resolved in version 3.1f
Version 3.1f was released on February 26, 2008.
- File import:
- There was still a limitation of 1600 atoms
in the parameter list when you read data from a ShelX formatted file.
- If a CIF file contained only a "data_global"
block AND blank lines preceded the "data_global" line, Diamond reported an error message
"No structure data found...".
- Symmetry:
- The unconventional settings of
space-group no. 2, e.g. "C-1" were not recognized
when you used the "-1" rather
than "1-" syntax.
- For space group Pn-3n (Int. Tables
no. 222), wrong Wyckoff positions were assigned
in the atomic parameter table. For origin choice 1, the positions for origin choice
2 were assigned and vice versa.
This did not affect structure picture or interatomic distances etc.
- When importing from a ShelX RES file,
space groups P31 (no. 144), P32 (145), P3121 (152), and P3221 (154) were not recognized
from the "SYMM" cards.
- Atomic parameter editing:
- When using a space group setting where
no informations about the Wyckoff sites (letters, multiplicity) is available (cf.
"Structure/Space-group..."), Wyckoff letters were
erased even if you entered them manually in the dialog "Structure/Atomic parameters...".
- Structure picture:
- The option "Save view as default orientation" did not take any effect, i.e. the
next time you created a new picture for a new or imported data set, the view was
along c-axis.
- In a structure picture that was exported by Pearson's Crystal Data the atom group
designs (and thus the legend) deviated from the designs of the corresponding atoms
in the picture.
- In a structure picture that was exported by Pearson's Crystal Data some atoms appeared
at wrong positions and had wrong colors and designs, especially if the atomic parameter
list contains mixed sites. (Requires Pearson's Crystal Data version 1.0b; available
in March 2008.)
- Printing:
- When printing the selected row(s) of
a table, e.g. the table of created atoms (cf. "View/Table/Created Atoms"), no or
only a part of the selected rows appeared in the printout. Additionally, a rather
simple "Footer..." was placed at the page bottom.
- When printing both distances table
and distances histogram in distances view (cf. "View/Distances and Angles"), the
graphics was not printed (the last page), if the table was too long to fit on
one single printout page.
- Distances and angles:
- When you calculated distances in pm or nm, then closed and re-launched Diamond,
it could hang up the next time you went to distances (and angles) view (View/Distances
and angles), especially if pm was preset, because Diamond tried to calculate up to e.g.
300 Angstroems rather than picometers.
- Other:
- Pearson code and Wyckoff sequence were not erased after transformation of a crystal
into a molecular structure. Cell edges and corners are now changed to pseudo-atoms
with real bonds between during that transformation.
- "Pearson's Crystal Data" was not stated as origin in the data sheet or data brief.
Bugs resolved in version 3.1e
Version 3.1e was released on May 18, 2007 and contains some bug
fixes and minor changes in context with the release of the Pearson's Crystal
Data demo version, which can launch Diamond to post-process a crystal structure
picture.
-
The color of hatching (for thick bonds in flat mode only) was
not stored in the Registry, so the default bond design was not restored
completely the next time you started Diamond.
-
The selection of atom groups to be displayed in the
legend ("Objects/Legend..." -> "Select..." -> "Select Atom Groups for
Legend" dialog) was not stored in the Diamond document and was not
considered during Undo/Redo.
-
In data sheet and data brief, super- and subscripts as
well as Greek characters are now considered.
-
In data sheet and data brief, the publication year was not
mentioned under "Citation".
-
In the dialog "Model and Radii" a "Reset" button is now
available to assign the model that is currently selected in the combobox to all
(if no atom is selected) or to the selected atoms (and associated bonds).
It also assigns the radii of the atom groups to the created atoms.
-
If the mouse cursor hoovers over an invisible atom or bond,
the info tip now mentions "invisible" in the info tip text.
-
In the diffraction diagram, intensitites are now scaled to
Imax=1000 (and not approximately 200) when using profile pattern and the
corresponding option is active.
-
The commands to rotate or shift selected atoms
("Structure/Change Position/...") was available for crystal structures but
should not (nothing happened, if you selected the command yet). Now it is
enabled for molecular structures only.
-
The color values for color differentiation for symmetry
operations were not correctly initialized.
Bugs resolved in version 3.1d
Version 3.1d was released on July 5, 2006 and resolved a severe
bug in printing that obviously slipped in version 3.1b:
Printing: Diamond renders a graphics in multiple
horizontal bands for printer output (the more bands the bigger the drawing area
and the higher the printer resolution). Versions 3.1b and 3.1c sent
the bottom-most band to the printer multiple times as the sample below
shows (5 bands).
Besides this, the background color was ignored (and white used)
in flat mode, when the option to print on white background (default:
on) was switched off (cf. "Picture/Layout...").
Version 3.1c
Version 3.1c was released on June 12, 2006 and introduced a new
automatic online update checking feature but no bug fixes.
Bugs resolved in version 3.1b
Version 3.1b was released on April 10, 2006.
-
Installation:
-
The installation of Diamond 3 did not work under MS Windows 2003 Server.
-
File import/export:
-
When you exported a structure into CIF format and at least one atom symbol
was blank (cf. command "Structure/Atomic parameters..."), the CIF caused
trouble when reading into Diamond again.
-
CIF import: If the origin choice (e.g. origin at centre =
centrosymmetric) is not available from the space-group symbol, the
symmetry matrices are searched for an "-x,-y,-z" entry to make a decision
for the right setting.
-
Space groups:
-
Diamond often derived the wrong settings,
e.g. "_symmetry_space_group_name_H-M 'P 21/n'" in combination
with "_symmetry_Int_Tables_number 14" led to "P 1 21/c 1".
-
The new Hermann-Mauguin symbols "Aem2" (no. 39), "Aea2" (no. 41), "Cmce"
(no. 64), "Cmme" (no. 67), and "Ccce" (no. 68) were not considered (cf. Int.
Tables for Crystallography, vol. A, 5th ed., ch. 1.3). For instance, "Cmce" is
now redirected to the "old" "Cmca".
-
Line objects:
-
The components of the vector of a l.s. line through three or more points were often
calculated in a wrong way as m1 = m2 = m3 = 0.
-
The terminal points of the visual line object in the structure picture were
sometimes calculated in a wrong way so that it did not appear or at an
arbitrary place in the picture.
-
Line objects with at least one of the components m1,m2,m3 zero (parallel
to at least one orthogonal axis) did not appear in the structure
picture.
-
Other:
-
Big transparent atoms that swallowed other objects were not rendered correctly.
The restriction of max. 5 A for an atom radius has been removed.
-
"Model and Radii" dialog: The option "Superimpose space-filling" did not work.
-
"Picture/Layout": On the "Background" page, the option "Transparent" did not
work (was ignored). Now it deviates, if necessary, the RGB values of the
background slightly to a color that no other foreground pixel has in
the bitmap.
-
Command "Select atom(s)" from the context menu of the table of atomic
parameters (cf. command "View/Table/Atomic parameters") took no affect, if the
selected atom is part of a mixed site and not the "representative" atomic
parameter of the site.
-
Diamond could crash when you deleted the last atom from the table of
atomic parameters ("Delete" command from the context menu) or showed wrong
information in the properties view when you deleted another atom than the last
one.
-
The commands "Space group..." and "Cell parameters..." are not more available,
if the structure has no translational symmetry. (If you entered a space group
and/or cell parameters, this had no effect. To introduce
translational symmetry, use the command "Add Translational Symmetry..." from
the "Structure" menu.)
-
"Edit/Select Molecule" did not work or was not available, if you clicked on a
bond rather than on an atom of the molecule to be selected. The properties view
was not updated in response of the select molecule command, i.e. did not
reflect the new atom selections.
-
The unit cell axes a,b,c were sometimes drawn even for a structure having no
translational symmetry. The command "Show or Hide axes a,b,c" is not more
available from the drop-down menu in the "Picture" toolbar for structures
without translational symmetry.
-
In the navigation bar (document > structure > picture 1
> data sheet, etc.) the link for the structure node was often
underlined in a wrong way when the mouse was moved over.
-
The histogram graphics were not copied to the Windows clipboard in response to
the "Copy" command of the properties view's context menu.
Bugs resolved in version 3.1a
Version 3.1a was released on December 16, 2005.
-
Insert structure(s) from file(s):
-
The command "Structure/Insert From File...", which was enhanced in version 3.1
to enable import of multiple structure data sets in one step, did not work for
diamdoc files.
-
Jerky rotation:
-
The rotation of a structure picture in "tracking mode" (cf. "Move/Rotate
along...axis") became very slow ("jerky"), if the structure table for the
current Diamond document ha been viewed (cf. "View/Structure table").
-
Lasso selection:
-
When you were in "bitmap" or "printout page" layout (cf. "Picture/Layout..."),
the lasso selection did not correctly match the objects inside the free-hand
figure (the "lasso").
-
There was no online help available for lasso selection.
-
Plane and line objects:
-
Plane and line objects (cf. "Objects" menu) are not displayed
in flat mode, only in rendering mode. This restriction was not mentioned in the
online help. There is now also an "i" hint in the lower left corner of the
structure picture.
-
Measuring distances or angles:
-
When you were measuring distances or angles (commands "Tools/Measure[...]"),
the yellow info tip window showing the result often disappeared after
less than a second in bitmap or printout page layout.
-
Properties view:
-
Under some circumstances, Diamond crashed or (closed without error message)
when you used one of the options "Distances histogram" or "Planarity/Linearity
of selected atoms" in the properties view pane and had a lot of atoms selected.
-
Powder pattern:
-
Intensities of reflections could be wrong, caused by typing errors in the
scattering factor table. Affected atom types were: H (neutral), Sc3+, Ru4+, and
Bi5+. Besides this, wrong intensitites could be caused by wrong
determination of multiplicites.
-
Other:
-
In the Distances and Angles view, the central atom(s) were not listed in
the title bar of the histogram.
-
In some cases, the definition of a (least-squares) plane through four or more
atoms led to incorrect plane with m1 = m2 = m3=d=0.
-
A picture thumbnail was not updated in response to the "Picture/Hide" command.
"Undo" and "Redo" did not work for "Picture/Hide", too.
Bugs resolved in version 3.1
Version 3.1 was released on September 21, 2005. A list of changes
and enhancements can be found here.
-
When Diamond read from a CIF file ("File/Open" or "Structure/Insert from
file"), it cancelled reading under circumstances, if the file had UNIX
format (i.e. simple line feeds rather than return/line feed sequences) and
there were comments between the CIF data.
-
The export of structure data in CIF format contained errors:
"_geom_hbond_xxx" informations was not written when exporting structure
data in CIF format.
When exporting "_geom_bond_xxx", "_geom_contact_xxx", "_geom_angle_xxx", and
"_geom_torsion_xxx", only two atom symbols but no symmetry info or distance or
angle values were written.
-
Deleting of structures from structure table (command "View/Structure
Table") did not work correctly, if multiple rows were selected.
-
A picture thumbnail was not updated when you shifted (or duplicated) labels or
text in the structure picture.
Bugs resolved in version 3.0e
Version 3.0e was released on July 20, 2005.
-
"Undo" and "Redo" did not work for functions:
-
"Build/Create H-Bonds..." as well as function "Destroy all" in the "H-bonds"
dialog.
-
"Build/Polyhedra/Construct Polyhedron...".
-
POV-Ray:
-
Dialog "Global POV-Ray Settings", page "Lights" (command "Tools/POV-Ray/Global
Settings..."):
a. When you added a light source, some of the settings of the currently
selected light source could be overwritten.
b. An undefined "point_at" was sometimes given as
"<-999,-999,-999>".
-
Polyhedra:
-
Diamond could crash, if a polyhedron that was selected in the table of
polyhedra and that was built using "Build/Polyhedra/Construct Polyhedron..."
contained less atoms than had been selected to construct. (This happens when
some of the atoms are eliminated due to the fact that they do not contribute to
a convex polyhedron.)
-
Other:
-
After you had deleted one or more or all bonds, e.g. with
the "Destroy Bonds" command of the context menu, and then tried to
fill a coordination sphere of one of the previously bonded atoms, the function
failed.
-
When tracking with hidden mouse cursor (see "Tools/Options..." -> "Options"
dialog, "Tracking" page, checkbox "Hide mouse cursor while tracking"), the
picture was not updated unless you released the mouse button.
-
Structure data sets often did not appear in the original order in the
structure table (cf. command "View/Structure Table"), if "No sort" was set in
the "Structure Table Settings" dialog.
-
Picture thumbnails in the "Thumbnails" docking window were not updated
when you ran the "Undo" or "Redo" command.
-
"Tools/Options" -> "Assistants" page: The options "Show welcome page" did
not work correctly.
Bugs resolved in version 3.0d (and minor changes)
Version 3.0d was released on May 4, 2005.
-
Copy and Paste of structure pictures:
-
Use of "Copy" and "Paste" ("Edit" menu) to create multiple pictures for
one structure data set may lead to Diamond crash. In the thumbnail overview
("View/Structure Overview") there may be more pictures than are really
present. After you have saved the document in a "diamdoc" file, you might be
unable to open that file again.
-
POV-Ray:
-
In some cases, polyhedron faces with four or more edges were missing in the
POV-Ray output. Besides this, the polyhedron design "Front faces open" was
ignored, i.e. open faces were represented as closed yet.
-
Program start:
-
If the option "Create new (blank) document" was active on the "Desktop" page of
the "Options" dialog ("Tools" menu), and you started Diamond, just the "New
Document" dialog was shown (no Diamond main window, no splash screen). When you
continued with the option "Insert data set(s) from a file", the "Insert
Structures From File" dialog opened, followed by the "Insert From File" dialog.
The "Insert From File" dialog was closed automatically after some seconds. The
same happened when you used the "Create a document and type in structure
parameters" option in the "New Document" dialog. (Then the "New Structure"
assistant was shut down after some seconds.)
-
Insert structure:
-
Inserting of one ore more structures from a file into a Diamond
document (command "Structure -> Insert From File") failed, if that file
was a *.diamdoc file. In most cases you got the error message "An attempt was
made to access an unnamed file past its end", in some cases the program hung
up, since it tried to allocate hugh amount of memory.
-
Sample file "unknown.diamdoc":
-
When you opened the tutorial sample file "unknown.diamdoc", then switched to
flat mode ("Picture -> Representation", "Representation" page: switch
checkbox "Rendering" off), all polyhedra turned to black. If you then
clicked on a central atom, e.g. the P atom in the center, and ran the
"Polyhedron design" command from the "Edit" sub-menu of the context menu, the
fill color was correctly given as "Central atom". If you chose another color,
say green, then pressed "Apply Now", it worked, but if you returned to
"Central atom", it turned back into black (although the color button now has
the correct purple face of P...). The black color was not updated even if you
changed the central atom's color ("Edit -> Atom design" in context menu).
-
Other:
-
The command "Insert Bonds Directly" (through button in "Build" toolbar)
let Diamond crash, if more
than two atoms were selected.
-
Some errors in the Stoe PKS format when exporting reflection parameters (powder
pattern view, context menu): I(rel) referred to max= 1000 instead of 100, the
intensities of the I(abs) column might follow the I(rel) values immediately
without blank between, and the I(int) column was missing. The version was also
missing.
Bugs resolved in version 3.0c (and minor changes)
Version 3.0c was released on March 30, 2005.
-
When copying the structure picture with "Edit/Copy" or Ctrl+C, a bitmap was
created but no Windows Metafile, just a blue square instead. Now three formats
are available when you do "Edit/Paste Special..." in your client
application, e.g. Microsoft Word or PowerPoint:
a) Diamond 3 Document Object, b) Graphics, c) Bitmap. (Some applications list
more formats, such as "Device-independent bitmap"). "Edit/Paste" (Ctrl+V) will
paste the Diamond 3 document object.
-
The checkbox "Create broken-off bonds" was missing in "Auto-Build Scheme
Settings" dialog.
-
The commands "Copy Style" and "Paste Style" from the "Edit" menu were
not available.
-
The command "Copy To New Picture" from the "Edit" menu was not yet available.
-
The command "Table Settings..." from the context menu of the table of plane or
line objects did not work correctly. The list did not show any items to
select from, so the table could be configured.
-
Structure picture display on computers with aspect ratio different from 4 : 3:
-
On computers with an aspect ratio different from 4 : 3, e.g. a wide-screen
notebook display, objects were mostly distorted, that means you saw ellipses
rather than circles for atoms etc. This happened in flat mode and rendering
mode, except rendering mode with central projection.
-
As a consequence of the above mentioned distortion, in rendering mode and
central projection, the selection of objects could fail, since the object
rectangles might not match the objects' representation on the screen.
-
Assistants:
-
If the automatic file format recognition in the "File Import Assistant" did not
suceed and you chose a format from the combobox manually, the "Next"
button was still disabled and you could not proceed the file
conversion.
-
A structure picture created automatically or by an assistant, did not show
coordinate system and/or legend of atom groups, if these objects had been
disabled before in the "Coordinate System" and "Legend" dialog, rsp.,
("Objects" menu).
-
"Big" structures (with some thousand atomic parameters):
-
The function that checks for mixed sites often assigned multiple atoms of
the parameter list to one site, especially when the atomic coordinates were
given in cartesian coordinates, e.g. in an XYZ file. The legend of atom groups
then showed something like "Fe; FeFe; Fe;Fe;Fe; ...".
-
The "Atom Groups" dialog ("Build" menu) behaved slowly or it took a long time
before it opened.
-
Atom vectors:
-
-
Default settings for length and radius (1 and 0.2, rsp., Angstroem)
led to hardly visible cones.
-
Under circumstances, an atom vector (cone) could not be selected with a single
mouse-click but it was caught with rectangle selection, but if you clicked into
the selection rectangle, the selection got lost, so you were unable to edit the
atom vector properties.
-
Plane objects:
-
Diamond failed or even crashed, if you defined a plane by hkl through 0
(n= 0) (command "Objects/Planes/Create Lattice Plane...").
-
A plane through three or more atoms that passes the origin (i.e. d= 0) was not
drawn or drawn incorrectly in the structure picture.
-
A lattice plane with hkl = (0kl), e.g. (0,12,5) and n = 1, was drawn
perpendicular to the c-axis and the distance from origin was given as 0
Angstroems rather than 0.5321 Angstroems in the table of planes.
-
If you tried to add another plane with (0kl), e.g. hkl = (0,5,12), Diamond
reported wrong error message "Plane already exists".
-
The view coordinates of a new lattice plane were not updated unless you
changed/updated the orientation, e.g. by rotating the structure picture "a
little bit".
-
When you ran "Edit Plane Style" dialog, the button "Apply Now" worked once
but not more for subsequent changes.
-
Line objects:
-
On the "Style" page of the "Add Line" or "Edit Line Style" dialog, the words
"plane" were replaced by "line".
-
A line through two atoms sometimes ended in one of the atoms or in both
atoms.
-
When you ran "Edit Line Style" dialog, the button "Apply Now" worked once but
not more for subsequent changes.
-
Function "Tools/Measure Planes etc":
-
Wrong mouse cursor symbol (the symbol for torsion angle measuring mode was
shown instead).
-
If you measured the angle between two objects, e.g. two planes or between
two lines or between a plane and a line, you could not select an atom for the
second object that already had been assigned to the first object.
-
Properties view (lower right pane):
-
For atom vectors, no object info was given.
-
For legend and coordinate system, the wrong relative position was shown,
e.g. "center of picture" rather than "relative to upper left corner".
-
Navigation tree ("View/Navigation"):
-
When you changed a structure picture's title ("Picture/Title..."), the title
was not updated in the navigation tree. Besides this, the title of the 2nd,
3rd, etc. structure data set was not updated when changed.
-
When you clicked on the structure level node in the navigation tree (the main
view then showed thumbnails of the pictures of that structure dataset), then
you clicked into one of the picture thumbnails in the main view (the full
structure picture view came), then again on the structure level node ==> the
thumbnail overview did not return.
-
Walk/in out mode ("Move/Walk In/Out"):
-
When you walk out, the structure picture might disappear at "high" camera
distance values, but it re-appeared, if you walk back in.
-
VRML export:
-
The VRML export (command "File/Save As/Save Graphics As...") often created WRL
files that only contained cell edges but no atoms, bonds, polyhedra, etc. An
error message was displayed in the status bar of Diamond after the command had
been executed.
-
Cortona VRML player displayed an error message "Wrong SFBitMask Value; File...;
Line...; Column..." in its console window, if the WRL file contained text.
(This text may come from atom or bond labels or from user-defined text.)
-
"Start" page: The table of the most recently used files was still missing.
-
Dialog "Picture/Representation...": The latest used page is now shown at
first when you re-open the dialog.
-
When you did tracking in bitmap or printout page layout mode (cf.
"Picture/Layout...), the dark gray frame around the bitmap or page, rsp.,
turned into black. It was restored when you finished tracking mode and updated
the graphics ("View/Update" or F5 key).
-
Docking window "Thumbnails" (cf. "View/Thumbnails"): The picture thumbnails
were often not updated or at least not all of the pictures (if you were using
more than one structure picture in your Diamond document) were shown in the
"Thumbnails" window.
-
The commands "Save Structure As..." and "Save Graphics As..." in the "File/Save
As" sub-menu failed, if the structure's and/or picture's title contained
characters that are not allowed in MS Windows file names ('"', '*', '/', ':',
'<', '>', '?', '\', '|').
-
In the dialog "Cell Edges Design" ("Picture" menu), the spin button for
"Weight" did not work.
-
Document title was not updated after "File/Save As/Save Document As..." in
navigation bar and navigation tree.
-
If there were more than eight structure pictures for one data set, some of the
commands in the "Structure Picture" sub-menu of the "View" menu were visible
but not available (disabled).
-
"Adjust" did not take into account the camera position, so it did not work if
the user had walked through the structure behind the center of rotation.
Bugs resolved in version 3.0b (and minor changes)
Version 3.0b was released on February 4, 2005.
-
Navigation bar: There are now two arrows on the right-hand
side which makes it possible to scroll through all pictures' titles, if the
navigation bar is too short to display the titles of all pictures at one time.
-
Navigation bar and picture thumbnails: There was a wrong
mouse cursor symbol ("grabbing hand" like e.g. in Adobe Acrobat Reader), if the
mouse pointer was placed over a "link" in the navigation bar. The same hand
occured when mouse was over a picture thumbnail.
-
"New Structure Picture" assistant: Execution of a selected
Auto-Build scheme did not work.
-
"Create Structure Picture" assistant
("Picture/Guidance/Picture Creation Assistant..."): Diamond "forgot" the
background color that you set on the 4th page ("Picture Design") of this
assistant. Besides this, several settings under "Layout" led to other results
than expected.
-
"Atom Groups" dialog (command "Build/Atom Groups..."):
-
In Diamond 3.0(a) - unlike in Diamond 2 - the occupancies of
the atoms of the parameter list were considered when atom groups are defined,
leading e.g. to two different groups "AlCo" and "CoAl".
-
If you created a new atom group, the "Info" field at the was
not updated, even if you assigned the new group to other atoms of the atom site
list below.
-
If you clicked "Reset all", empty lines appeared in the "atom
groups" list at the top.
-
The assignments of atom groups to atom sites were not stored
in DIAMDOC document.
-
"Atom [Group] Designs" dialog (command "Picture/Atom
Designs..."):
-
"Atom Group Designs" dialog: Wrong color in preview (default
white), which was not corrected unless you clicked into the atom group list or
changed to another style.
-
If atom style is "Octant" at the beginning of the dialog, the
"More Settings..." button was not visible unless you clicked into the atom
group list.
-
If you changed the color of the octant walls (in flat mode:
hatching lines), the new color was not displayed in the atom design preview.
-
For style "Mixed/defect site sectors" or "Mixed site color
mix", the atom preview was not displayed correctly (no e.g. half spheres or
color mix).
-
If you had added a new atom group and assigned that atom
group to at least one atom (site) of the parameter list, the assignment of atom
group designs to the created atoms went wrong. (Assignment of created atoms to
atom groups was not updated.)
-
"Add Atoms" dialog and command "Build/Add All Atoms":
-
The function that creates atoms of the parameter list may
access the wrong atoms or even crash, if mixed sites are present in the
structure.
-
Both function "Add all atoms" and the atoms selected in the
dialog may create multiple atoms on one site for mixed sites.
-
A code number range, e.g. "1555011-4555011", specified at the
bottom input line of the dialog was not evaluated correctly.
-
Auto-Build function:
-
Left mouse button double-click on an object (atom, bond etc.)
did not open the corresponding dialog to edit the selected object(s) (as
Diamond 2 does).
-
"Del" key did not delete selected labels.
-
The command "Molecule Cage...", listed in the context menu
that appears when you click on a filter or cage symbol in the lower left corner
of the structure picture view, led to a message box "This command has not yet
been implemented or completed in this pre-release".
-
In the "Connectivity" dialog ("Build/Connectivity..."
command), the push button "Connect now" ignored the current selection of atom
group pairs and their bond ranges.
-
Dialog "Viewing Direction": Function "Define axis" did not
work.
-
There was a wrong sign for y when you shifted the structure
picture vertically either by stepping (cursor up [8] or down [2] on numeric
keypad) or by dialog (Move/Shift Incrementally). There was also wrong
information in status bar.
-
"Reset" in "Color differentiation" -> "Color settings"
dialog did not work correctly. Obviously all but the currently selected option
were reset when "Reset" was clicked.
-
"Picture/Hide.": "Hide all atoms" did not work in rendering
mode (but did already in flat mode).
-
Wrong default setting for z (0) for atom labels, which made
labels usually partially invisible (label was swallowed by depth buffer).
-
A label hides the tool tip for the corresponding atom.
-
Labels were usually drawn too dark (normal vector not set in
OpenGL drawing).
-
Shift of selected labels and text with the cursor keys (one
pixel per keystroke) did not work yet.
-
"Edit Text" dialog: "Apply Now" button was renamed to "Close"
rather than "Cancel".
-
Background color was not saved in Registry after "Layout"
dialog, so every new picture started with the default black background.
-
Wrong mouse cursor symbol in "Walk in/out mode". (The symbol
for "Shift mode" was shown instead)
-
"Objects/Coordinate system.": Font attributes italics and/or
bold were ignored.
-
"Picture/Layout." dialog: If you switched to "bitmap layout"
and used a rather small size, e.g. 200x150 pixels and the option "Scale to fit"
was active (cf. "View/Zoom."), Diamond could hang up.
Bugs resolved in version 3.0a (and minor changes)
Version 3.0a was released on November 15, 2004.
-
POV-Ray export:
-
Atom labels:
-
Layout dialog ("Layout" command from "Picture" menu):
-
Whenever you called this dialog for a 2nd, 3rd etc. time, the
actual settings for width, height, and resolution were lost but the default
values given, e.g. 800 x 600 pixel, 96 dpi for bitmap layout.
-
The "Apply Now" button did not work when switching between
"Window" and other layout, but if it worked, then twice.
-
Actually not a bug, but if you now change the (bitmap)
resolution and the width and height of the bitmap are given in pixel units, the
width and height are converted, that means the size of the bitmap (in cm or
inches) remains the same. (For this reason, we swapped the controls
"Resolution..." and "Width...Height..." in the dialog vertically.)
-
The page size was calculated in a wrong way, when you defined
bitmap dimensions in centimeters or inches rather than pixels (see "Layout"
dialog), or when you defined printout page dimensions in inches rather than in
centimeters.
-
Function "File/Save As/Save Graphics As...":
-
When you saved a structure picture in bitmap layout into a
graphics file (bitmap, GIF, etc.) the picture was scaled in a wrong way,
usually the frame around the picture was wider than on the screen.
-
The resolution (given in "Layout" dialog) was not stored in
the BMP file.
-
Functions "Undo" and "Redo":
-
Print preview:
-
After you did a print preview for a structure picture in
bitmap or printout page layout, the computer did not recalculate the correct
size of the drawing area for the screen and thus attempted to render into a
relativ huge drawing are instead, which could lead to Diamond hang-up.
|