epam / epam/Indigo

Provide a support for CDX/CDXML to correctly handle haptic bonds during load and/or save operations.

Open
#3,843 0 comments 0 reactions 1 assignee Claimed by @NikolaiBalabanov View on GitHub
Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

---

Support the ChemDraw representation: a node of type `MultiAttachment` whose `Attachments` property lists the member atoms, with the bond to the central atom being an ordinary bond. Ferrocene is the vendor specification's own example of this.

Three pieces of work: the CDXML (text) path; the binary CDX path, which needs the missing reader and writer cases for the `CDXObjectIDArrayWithCounts` data type (a leading UINT16 count followed by UINT32 ids); and writing the node out. `VariableAttachment` must not be misread as haptic.

**Done when:** a structure with a multi-attachment node load from both CDXML and binary CDX and roundtrips.

---

Contributor guide

No contributing guide indexed for this repository

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.