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#4530 - Add ability to define attachment points for molecules fixes #4727

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merged 2 commits into from
Jun 3, 2024

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@rrodionov91 rrodionov91 commented Jun 1, 2024

  • fixed atomId in molecule-monomer connections in serialization
  • turned off structure rescaling during opening from file if there is monomer-molecule connection

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  • unit-tests written
  • e2e-tests written
  • documentation updated
  • PR name follows the pattern #1234 – issue name
  • branch name doesn't contain '#'
  • PR is linked with the issue
  • base branch (master or release/xx) is correct
  • task status changed to "Code review"
  • reviewers are notified about the pull request

- fixed atomId in molecule-monomer connections in serialization
- turned off structure rescaling during opening from file if there is monomer-molecule connection
@rrodionov91 rrodionov91 changed the title #4530 - Add ability to define attachment points for molecules #4530 - Add ability to define attachment points for molecules fixes Jun 3, 2024
@@ -149,6 +150,14 @@ export function load(struct: Struct, options?) {
const hasUnsupportedGroups = parsedStruct.sgroups.some(
(sGroup) => !supportedSGroupTypes[sGroup.type],
);
const hasMoleculeToMonomerConnections = parsedStruct.bonds.find(
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@svvald svvald Jun 3, 2024

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It's minor, but it seems that .some might fit better semantically here rather than .find as you return some flag of whether any bond meets your condition, not the bond itself

@rrodionov91 rrodionov91 merged commit 7394563 into master Jun 3, 2024
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@rrodionov91 rrodionov91 deleted the 4530-add-attachment-points-to-molecules-fixes branch June 3, 2024 11:00
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Allow connection of molecule with monomer Add ability to define attachment points for molecules
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