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TODO2
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TODO2
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TODO
====
Undo/Redo:
* Add Grid-related undo/redo (e.g. title changes, colour etc.)
Add set members to Matrix class allowing axes to be set from atoms in models.
Crash when tree selecting large models (recursion overflow?) - use array-based loop instead.
Add specific line primitive class that allows chunking (for speedup of stick rendering, because otherwise an enormous array is continually deleted'd/new'd).
Add context menu "Copy" and "Set" to TColourButtons.
Add 'Relative' view lock option, alongside 'None' and 'Lock' (Follow)?
Progress indicator jobs in GUI appear to be created even if they are short and not 'ready' to be shown yet.
Implement 'factory' for common objects such as Atom & Bond, to save new'ing all the time (esp. for large systems).
Panel for User tools, essentially loaded from scripts (plugins?) in a user's tools/X directory.
Visualise toolbar, containing Glyph management, polyhedra etc.
Polymer builder.
Collapse cell tool.
WEBSITE - Add missing examples linked to from front page!!
Calculate Panel - Align Control in Transform panel, allowing fragments in selections to be aligned in various ways. Is Model::selection_ ordered by ID, or as-selected?
FF popup minimise needs to remember previous choice
MOPAC71 needs to deallocate arrays, or a 'stop' is encountered when trying to reallocate a previously-allocated array (needs to be done after extraction of calculated data etc.)
Energy minimisation (SD at least) does not appear to converge on energy.
FileSelector fails to use selected plugin on export if filename doesn't have an extension and the "Determine by extension" check is ticked.
Plugin TODO
===========
POVray export.
Implement partitioning schemes as plugins, and update to use simple equations in tests rather than Grids?
GeneralFilePlugin, for exporting anything else that isn't a model, forcefield, grid etc. (CONTROL files, POVray stuff etc.)
Graphics TODO
=============
Reimplement drawing of grid (volume) axes.
Frame individual model areas when displaying multiple models OR light checkerboard background?
Automatically adjust grid size for number of visible models, based on current aspect ratio and context size etc.
GUI TODO
========
Sort out remaining icons:
- Calculate charge (on Calculate panel)
Add option to display ColourScale selector (e.g. for Grid colour buttons)
Add Plot Orbital to Tools page (raising dialog from old GridsWidget)
Add manual typing popup / context menu?
Possible TODO
=============
Implement optional startup 'guide' or 'wizard' that will disable all controls on the GUI and explain what means what, highlighting them as appropriate.
Add in calculation of quantities and graphing?
Reformulate Pattern::bondEnergy() and others into a separate class, since the Pattern class shouldn't really own them.
Make Model::EnergyStore a private member with accessor?
Add ObjectLists (when using CHECK)?
Click to select grid.
Manual TODO
===========
Examples: Partitioning (torus), advanced selection (caffeine nitrogens, transmutation etc), chloroform glyph triangles, CG particles.
Sections: ExportFilm (GUI)
TestSelect command.
Setting of filter options when using --batch CLI mode (in 03.cli/batch).
Switch / Case.
More descriptions / examples for Disorder Builder options.
--noplugins, --plugin, and --atenplugins CLI switch.
Removed --pack, --bond, --centre, and --fold CLI switches.
Removed --cachelimit switch, and repurposed to --cache.
ATENPLUGINS environment switch.
Whole plugin thing, really! And make filters section defunct.
Removed FinaliseModel/Grid commands, and all read/write commands related to files.
Removed model.finalise(), FinaliseFF, and FinaliseFrame commands.
Removed all Prefs accessors related to file import (keepNames, zMapType etc.)
Added optional "forceRhombohedral" argument to "spacegroup" command.
Remove 'autoConversionUnit' command.
Add --nodynamicpanels option and prefs accessor.
Remove "combinationRules" Prefs accessor.
Removed 'setCombinationRule' and 'combinationRule' commands.
Added 'reMap' command to re-do name->element mapping for the current selection.
Add 'deselectAll' command (direct synonym for selectNone).
Add 'labelDepthScaling' option to PrefsVariable.
Remove MopacMinimise command.