Alt input mode (ring sprout, bond sprout, kekule/tautomer shifting) #199
Conversation
cdk-2.9 uses an IRGroup interface and cdk-2.0 not. To accept the IRGroup interface modifications were necessary.
update for jna.inchi
upgrade to cdk-2.9 and modification IRGroup no target
…cdk-2.10-wip * 'cdk-2.10-wip' of github.com:JChemPaint/jchempaint: Update JNIInChIHandler.java Update .gitignore and remove ignored files from tracking add gitignore and *.class removed all target directories remove core/target directory upgrade to cdk-2.9 and modification IRGroup
…ping of min/max zoom was not done correctly.
…e zoom in/out meta + scroll.
…e here is be need a new AtomBondSet which is used for undo/redo and allows dangling bonds.
…ObjectSelection.getConnectedAtomContainer() returning dangling bonds.
…ing some "control points" on selected parts.
…ate/resize as needed.
…d entry points for rotate/scale
…ction to be combined with an existing selection.
…(if shift is pressed). Also change the mouse to correct cursor type if we are over a selection control point.
…d render rectangles like this since then the underlying graphics API can decide how to round coords (if at all)
…ting the cursor making sure atoms are correctly updated and mouseDrag modifiers.
…l points of a selection.
… we may accidently create.
…n we remove parts (or undo an add). If the highlighted atom is active move it to be valid.
…c to the controller hub.
…t functional groups.
…move the highlighted atom/bond with arrow keys.
…Generator. This can't be a .properties option as the current setup creates these before reading but perhaps could be in future.
|
Sorry lots more changes, need to push some CDK tweaks as well. Anyways looking pretty awesome, some things i've been working on include much better selection control (bugs in the current one) and moving/resizing. It was bugging me that you had to select the rotate tool to rotate for example. Now we render some control points which allow the manipulation all from the MoveModule. The video explains better. MjcpGa-selection-controls.movScaling/Rotation is either relative to the centre point or to where it is attached. Likewise i fixed the flipping so that if you flip on a singly connected bond it does what you would expect. You can still hold alt to get the old behaviour. There were many updates needed to get this working including custom cursors etc but overall works well. The second part is the highlight atom/bond now functions like ChemDraw's (hotspot) - see here: https://www.youtube.com/watch?v=AkkpuW322qo. It's not perfect but very nice for quickly entering structures without using a mouse which can be a lot faster once you get the hang of it. MjcpGA-hotkeys-480.movAfter the initial mouse click, everything is done with the keyboard. |
…the bounding box isn't too small.
…bigger and close to an A4 page dimensions.
This adds an alternative input mode (alt key held) and changes the sprouting of rings on attached atoms. Spiro rings are incredibly rare and it is better to default to non-spiro (as shown in the video). If you really want a spiro you can hold down alt. This mirrors ChemDraw behaviour. In the case of adding Phenyl the valences would never be correct anyways :-)
JCP-alt-ring-mode.mov