Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

#4802 - Copy/Past operation works wrong #4910

Open
wants to merge 3 commits into
base: master
Choose a base branch
from
Open

#4802 - Copy/Past operation works wrong #4910

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
3 commits
Select commit Hold shift + click to select a range
cd78a7d
#4802 - Copy/Past operation works wrong
Guch1g0v Jun 27, 2024
4c98b6d
Update from master
Guch1g0v Jul 29, 2024
4016d4d
fix: resolve conflict
Guch1g0v Jul 29, 2024
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
14 changes: 10 additions & 4 deletions packages/ketcher-core/src/domain/entities/sgroup.ts
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -357,7 +357,9 @@ export class SGroup {
cloneAttachmentPoints(
atomIdMap: Map<number, number>,
): ReadonlyArray<SGroupAttachmentPoint> {
return this.attachmentPoints.map((point) => point.clone(atomIdMap));
return this.attachmentPoints
.filter((point) => atomIdMap.has(point.atomId))
.map((point) => point.clone(atomIdMap));
}

public get isSuperatomWithoutLabel() {
Expand Down Expand Up @@ -425,14 +427,18 @@ export class SGroup {
sg.atoms = SGroup.removeNegative(SGroup.filterAtoms(sg.atoms, atomMap));
}

static clone(sgroup: SGroup, aidMap: Map<number, number>): SGroup {
static clone(
sgroup: SGroup,
aidMap: Map<number, number>,
atomsInSet?: number[],
): SGroup {
const cp = new SGroup(sgroup.type);

Object.keys(sgroup.data).forEach((field) => {
cp.data[field] = sgroup.data[field];
});

cp.atoms = sgroup.atoms.map((elem) => aidMap.get(elem));
const sgroupAtoms = atomsInSet || sgroup.atoms;
cp.atoms = sgroupAtoms.map((elem) => aidMap.get(elem));
cp.pp = sgroup.pp;
cp.bracketBox = sgroup.bracketBox;
cp.patoms = null;
Expand Down
6 changes: 4 additions & 2 deletions packages/ketcher-core/src/domain/entities/struct.ts
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -298,13 +298,15 @@ export class Struct {

const sgroupIdMap = {};
this.sgroups.forEach((sg, sgroupId) => {
if (sg.atoms.some((aid) => !atomSet!.has(aid))) return;
const notInGroup = sg.atoms.some((aid) => !atomSet!.has(aid));
const atomsInSet = sg.atoms.filter((aid) => atomSet!.has(aid));
if (!atomsInSet.length && notInGroup) return;
Copy link
Collaborator

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Maybe I'm missing something here but why do you need notInGroup? Conditions in .some and .filter are mutually exclusive so if there are no elements satisfying the atomSet.has(aid) condition, there is definitely at least one element which satisfies the inverse !atomSet.has(aid) condition

Copy link
Collaborator Author

@Guch1g0v Guch1g0v Jul 1, 2024 •
edited
Loading

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Sometimes (when we copy a attachment point label) we are not in the group, but we need still filter some atoms,
but if we are not in the group and there are no atoms, we exit. Also, we must support the previous realization of mergeInto.

Screenshot from 2024-07-01 21-51-11
Screenshot from 2024-07-01 21-49-11

Perhaps there is another way to solve the problem.

const oldSgroup = sg;

sg =
oldSgroup instanceof MonomerMicromolecule
? MonomerMicromolecule.clone(oldSgroup, aidMap!)
: SGroup.clone(sg, aidMap!);
: SGroup.clone(sg, aidMap!, atomsInSet);

const id = cp.sgroups.add(sg);
sg.id = id;
Expand Down
Loading