26 sep #227
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26 sep #227
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johnmay
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Final commit now depends on CDK cdk/cdk#1235 since I needed to move some InChIReaders. |
…/*) for pseudoatoms.
… ring/chain of that atom/bond.
… one other atom we snap the angles.
…hich provides modifiers. There was some strange behaviour with the selection module which is difficult to reproduce.
…arbon unless we are adding a single atom.
…nal or useful. H should always be shown - there is a preference to show it on all/terminal caronds in the settings.
… I need to rewrite the CDK CML parts to make that smaller.
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This is good to go now the InChI reader movement is merged in. I am tempted to rewrite the CMLWriter in CDK or at least provide an alternative as it would nearly half the size of the JChemPaint application. |
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@egonw are you able to take a look at this when you have time - thanks |
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Sorry, missed this one. Thanks for the ping. I will check it today |
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A few odd fixes here and there, most of them are self explanatory (e.g. default H count for pseudo atoms and atom color). The slightly tricky one and need a new API point (moveBy didn't have enough info passed in) is that we can now snap and already placed atom to fixed increments.
I added this already to newly placed atoms and if you select the bond and rotate it. Now if you just pick up a single atom it does it as well. As I show later in the video you can hold "alt" to get the "freeform" movement if needed. I did also experiment with also allowing the length to change and snapping to fixed increments but it didn't seem to flow correctly so took it out.
Screen.Recording.2025-09-29.at.10.01.02.mov
All the other cool thing is alt+space will select the ring/chain under the cursor. See below how I can quickly now grab the hold ring system and rotate it as needed.
Screen.Recording.2025-09-29.at.10.06.50.mov