epam / epam/Indigo

Provide a support within a layout algorithm for a haptic bond.

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#3,844 0 comments 0 reactions 1 assignee Claimed by @NikolaiBalabanov View on GitHub
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C++
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2d 11h
Merged PRs (30d)
24

Description

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Need to provide a support for a haptic bond when laying out or cleaning up a structure, a haptic bond between an attachment group and an atom is **1.5× the standard bond length**; an atom-to-atom haptic bond keeps the normal length.

The bond is anchored at the centre of the ring, so the ring radius eats most of its length — at 1× the partner atom ends up sitting on the ring outline, need to provide a correct support to calculate the correct length of the bond.

Note this bond is not a graph edge, so the layout pipeline does not see it through the usual forces.
Keep the multiplier a parameter rather than a constant.

**Done when: ** layout provides a verified and correct response. The distance from the ligand outlines to the partner atom are correctly calculated and follows the Specification standards and requirements.

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