From 5bf561bcdb3ee565a66d9dbb1185ecd30be1ffdf Mon Sep 17 00:00:00 2001 From: Maksim Labovich Date: Fri, 13 Dec 2024 12:43:59 +0300 Subject: [PATCH 1/4] #6026 - Bond length is different for monomers loaded from HELM and from the library - updated RNA_MONOMER_DISTANCE constant value --- .../ketcher-core/src/application/editor/tools/RnaPreset.ts | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/packages/ketcher-core/src/application/editor/tools/RnaPreset.ts b/packages/ketcher-core/src/application/editor/tools/RnaPreset.ts index 8e5503a596..e12aafb844 100644 --- a/packages/ketcher-core/src/application/editor/tools/RnaPreset.ts +++ b/packages/ketcher-core/src/application/editor/tools/RnaPreset.ts @@ -25,7 +25,7 @@ import { RNABase } from 'domain/entities/RNABase'; import { Phosphate } from 'domain/entities/Phosphate'; import { Coordinates } from '../shared/coordinates'; -export const RNA_MONOMER_DISTANCE = 22.5; +export const RNA_MONOMER_DISTANCE = 31.5; class RnaPresetTool implements Tool { rnaBase: MonomerItemType | undefined; sugar: MonomerItemType | undefined; @@ -65,6 +65,7 @@ class RnaPresetTool implements Tool { return; } + // debugger; const { command: modelChanges } = this.editor.drawingEntitiesManager.addRnaPreset({ sugar: this.sugar, From 0bf079933fe506ed3c827133af698592f6c9a163 Mon Sep 17 00:00:00 2001 From: Natalia_Loginova1 Date: Fri, 13 Dec 2024 22:10:35 +0100 Subject: [PATCH 2/4] 6026 - changed fix approach - renamed constant related to bond length - reused it instead of rna_monomer_distance constant - removed debugger --- .../src/application/editor/modes/SnakeMode.ts | 6 ++-- .../src/application/editor/tools/RnaPreset.ts | 11 ++---- .../SnakeModePolymerBondRenderer.ts | 4 +-- .../domain/entities/DrawingEntitiesManager.ts | 34 ++++++++----------- .../src/domain/entities/Nucleoside.ts | 4 +-- .../src/domain/entities/Nucleotide.ts | 7 ++-- 6 files changed, 27 insertions(+), 39 deletions(-) diff --git a/packages/ketcher-core/src/application/editor/modes/SnakeMode.ts b/packages/ketcher-core/src/application/editor/modes/SnakeMode.ts index e017e4f102..81540330df 100644 --- a/packages/ketcher-core/src/application/editor/modes/SnakeMode.ts +++ b/packages/ketcher-core/src/application/editor/modes/SnakeMode.ts @@ -10,7 +10,7 @@ import { RenderersManager } from 'application/render/renderers/RenderersManager' import { MONOMER_START_X_POSITION, MONOMER_START_Y_POSITION, - SNAKE_LAYOUT_CELL_WIDTH, + CELL_WIDTH, } from 'domain/entities/DrawingEntitiesManager'; export class SnakeMode extends BaseMode { @@ -45,8 +45,8 @@ export class SnakeMode extends BaseMode { zoom.scrollTo( new Vec2(drawnEntitiesBoundingBox.left, drawnEntitiesBoundingBox.top), false, - MONOMER_START_X_POSITION - SNAKE_LAYOUT_CELL_WIDTH / 4, - MONOMER_START_Y_POSITION - SNAKE_LAYOUT_CELL_WIDTH / 4, + MONOMER_START_X_POSITION - CELL_WIDTH / 4, + MONOMER_START_Y_POSITION - CELL_WIDTH / 4, false, ); diff --git a/packages/ketcher-core/src/application/editor/tools/RnaPreset.ts b/packages/ketcher-core/src/application/editor/tools/RnaPreset.ts index e12aafb844..45c18b2649 100644 --- a/packages/ketcher-core/src/application/editor/tools/RnaPreset.ts +++ b/packages/ketcher-core/src/application/editor/tools/RnaPreset.ts @@ -24,8 +24,8 @@ import { monomerFactory } from '../operations/monomer/monomerFactory'; import { RNABase } from 'domain/entities/RNABase'; import { Phosphate } from 'domain/entities/Phosphate'; import { Coordinates } from '../shared/coordinates'; +import { CELL_WIDTH } from 'domain/entities/DrawingEntitiesManager'; -export const RNA_MONOMER_DISTANCE = 31.5; class RnaPresetTool implements Tool { rnaBase: MonomerItemType | undefined; sugar: MonomerItemType | undefined; @@ -65,7 +65,6 @@ class RnaPresetTool implements Tool { return; } - // debugger; const { command: modelChanges } = this.editor.drawingEntitiesManager.addRnaPreset({ sugar: this.sugar, @@ -79,9 +78,7 @@ class RnaPresetTool implements Tool { phosphatePosition: this.phosphatePreviewRenderer ? Coordinates.canvasToModel( new Vec2( - this.editor.lastCursorPositionOfCanvas.x + - this.sugarPreviewRenderer?.width + - RNA_MONOMER_DISTANCE, + this.editor.lastCursorPositionOfCanvas.x + CELL_WIDTH, this.editor.lastCursorPositionOfCanvas.y, ), ) @@ -91,9 +88,7 @@ class RnaPresetTool implements Tool { ? Coordinates.canvasToModel( new Vec2( this.editor.lastCursorPositionOfCanvas.x, - this.editor.lastCursorPositionOfCanvas.y + - this.sugarPreviewRenderer.height + - RNA_MONOMER_DISTANCE, + this.editor.lastCursorPositionOfCanvas.y + CELL_WIDTH, ), ) : undefined, diff --git a/packages/ketcher-core/src/application/render/renderers/PolymerBondRenderer/SnakeModePolymerBondRenderer.ts b/packages/ketcher-core/src/application/render/renderers/PolymerBondRenderer/SnakeModePolymerBondRenderer.ts index 078a8833da..0736938ce9 100644 --- a/packages/ketcher-core/src/application/render/renderers/PolymerBondRenderer/SnakeModePolymerBondRenderer.ts +++ b/packages/ketcher-core/src/application/render/renderers/PolymerBondRenderer/SnakeModePolymerBondRenderer.ts @@ -14,7 +14,7 @@ import { ConnectionDirectionInDegrees, ConnectionDirectionOfLastCell, } from 'domain/entities/canvas-matrix/Connection'; -import { SNAKE_LAYOUT_CELL_WIDTH } from 'domain/entities/DrawingEntitiesManager'; +import { CELL_WIDTH } from 'domain/entities/DrawingEntitiesManager'; import { DrawingEntity } from 'domain/entities/DrawingEntity'; import { PolymerBond } from 'domain/entities/PolymerBond'; import { getSugarFromRnaBase } from 'domain/helpers/monomers'; @@ -171,7 +171,7 @@ export class SnakeModePolymerBondRenderer extends BaseRenderer { ): string { const sin = Math.sin((direction * Math.PI) / 180); const cos = Math.cos((direction * Math.PI) / 180); - const xOffset = (SNAKE_LAYOUT_CELL_WIDTH / 2) * cos; + const xOffset = (CELL_WIDTH / 2) * cos; const yOffset = (CELL_HEIGHT / 2) * sin; const maxXOffset = cell.connections.reduce( (max: number, connection: Connection): number => { diff --git a/packages/ketcher-core/src/domain/entities/DrawingEntitiesManager.ts b/packages/ketcher-core/src/domain/entities/DrawingEntitiesManager.ts index 7094802f10..8d003687a4 100644 --- a/packages/ketcher-core/src/domain/entities/DrawingEntitiesManager.ts +++ b/packages/ketcher-core/src/domain/entities/DrawingEntitiesManager.ts @@ -96,11 +96,10 @@ import { Chain } from 'domain/entities/monomer-chains/Chain'; const VERTICAL_DISTANCE_FROM_ROW_WITHOUT_RNA = 30; const VERTICAL_OFFSET_FROM_ROW_WITH_RNA = 142; const DISTANCE_FROM_RIGHT = 55; -export const SNAKE_LAYOUT_CELL_WIDTH = 60; -export const SNAKE_LAYOUT_Y_OFFSET_BETWEEN_CHAINS = - SNAKE_LAYOUT_CELL_WIDTH * 2 + 30; -export const MONOMER_START_X_POSITION = 20 + SNAKE_LAYOUT_CELL_WIDTH / 2; -export const MONOMER_START_Y_POSITION = 20 + SNAKE_LAYOUT_CELL_WIDTH / 2; +export const CELL_WIDTH = 60; +export const SNAKE_LAYOUT_Y_OFFSET_BETWEEN_CHAINS = CELL_WIDTH * 2 + 30; +export const MONOMER_START_X_POSITION = 20 + CELL_WIDTH / 2; +export const MONOMER_START_Y_POSITION = 20 + CELL_WIDTH / 2; type RnaPresetAdditionParams = { sugar: MonomerItemType; @@ -1244,7 +1243,7 @@ export class DrawingEntitiesManager { ) { const command = new Command(); const heightMonomerWithBond = - SNAKE_LAYOUT_CELL_WIDTH / 2 + VERTICAL_DISTANCE_FROM_ROW_WITHOUT_RNA; + CELL_WIDTH / 2 + VERTICAL_DISTANCE_FROM_ROW_WITHOUT_RNA; const isNewRow = lastPosition.x === MONOMER_START_X_POSITION; maxVerticalDistance = @@ -1312,7 +1311,7 @@ export class DrawingEntitiesManager { const oldSugarPosition = nucleotideOrNucleoside.sugar.position; const rnaBasePosition = new Vec2( lastPosition.x, - lastPosition.y + (isAntisense ? -1 : 1) * SNAKE_LAYOUT_CELL_WIDTH, + lastPosition.y + (isAntisense ? -1 : 1) * CELL_WIDTH, ); if (needRepositionMonomers) { @@ -1336,7 +1335,7 @@ export class DrawingEntitiesManager { if (nucleotideOrNucleoside instanceof Nucleotide) { nucleotideOrNucleoside.phosphate.isMonomerInRnaChainRow = true; const phosphatePosition = new Vec2( - lastPosition.x + SNAKE_LAYOUT_CELL_WIDTH, + lastPosition.x + CELL_WIDTH, lastPosition.y, ); @@ -1361,8 +1360,8 @@ export class DrawingEntitiesManager { maxVerticalDistance, restOfRowsWithAntisense, nucleotideOrNucleoside instanceof Nucleotide - ? SNAKE_LAYOUT_CELL_WIDTH * 2 - : SNAKE_LAYOUT_CELL_WIDTH, + ? CELL_WIDTH * 2 + : CELL_WIDTH, ); const nextMonomer = getNextMonomerInChain( @@ -1495,9 +1494,7 @@ export class DrawingEntitiesManager { needRepositionMonomers = true, ) { const command = new Command(); - let lastPosition = startPosition.add( - new Vec2(0, SNAKE_LAYOUT_CELL_WIDTH * 3), - ); + let lastPosition = startPosition.add(new Vec2(0, CELL_WIDTH * 3)); let rowsUsedByAntisense = 1; antisenseChain.forEachNode(({ node }) => { @@ -1854,15 +1851,12 @@ export class DrawingEntitiesManager { lastPosition: Vec2, height: number, canvasWidth: number, - width = SNAKE_LAYOUT_CELL_WIDTH, + width = CELL_WIDTH, restOfRowsWithAntisense: number, ) { - const isMonomerFitCanvas = - lastPosition.x + - width + - DISTANCE_FROM_RIGHT + - SNAKE_LAYOUT_CELL_WIDTH / 2 < - canvasWidth; + const monomerOccupiedWidth = + lastPosition.x + width + DISTANCE_FROM_RIGHT + CELL_WIDTH / 2; + const isMonomerFitCanvas = monomerOccupiedWidth < canvasWidth; if (!isMonomerFitCanvas) { return { diff --git a/packages/ketcher-core/src/domain/entities/Nucleoside.ts b/packages/ketcher-core/src/domain/entities/Nucleoside.ts index 7411edd0d9..124e205147 100644 --- a/packages/ketcher-core/src/domain/entities/Nucleoside.ts +++ b/packages/ketcher-core/src/domain/entities/Nucleoside.ts @@ -15,9 +15,9 @@ import { Command } from 'domain/entities/Command'; import { getRnaPartLibraryItem } from 'domain/helpers/rna'; import { BaseMonomer } from 'domain/entities/BaseMonomer'; import { AmbiguousMonomer } from 'domain/entities/AmbiguousMonomer'; -import { RNA_MONOMER_DISTANCE } from 'application/editor/tools/RnaPreset'; import { SugarRenderer } from 'application/render'; import { RNA_DNA_NON_MODIFIED_PART } from 'domain/constants/monomers'; +import { CELL_WIDTH } from './DrawingEntitiesManager'; export class Nucleoside { constructor( @@ -55,7 +55,7 @@ export class Nucleoside { const topLeftItemPosition = position; const bottomItemPosition = position.add( Coordinates.canvasToModel( - new Vec2(0, RNA_MONOMER_DISTANCE + SugarRenderer.monomerSize.height), + new Vec2(0, CELL_WIDTH + SugarRenderer.monomerSize.height), ), ); const modelChanges = new Command(); diff --git a/packages/ketcher-core/src/domain/entities/Nucleotide.ts b/packages/ketcher-core/src/domain/entities/Nucleotide.ts index 5689afdae2..00f9734f38 100644 --- a/packages/ketcher-core/src/domain/entities/Nucleotide.ts +++ b/packages/ketcher-core/src/domain/entities/Nucleotide.ts @@ -15,9 +15,8 @@ import { getRnaPartLibraryItem } from 'domain/helpers/rna'; import { RNA_DNA_NON_MODIFIED_PART } from 'domain/constants/monomers'; import { BaseMonomer } from 'domain/entities/BaseMonomer'; import { AmbiguousMonomer } from 'domain/entities/AmbiguousMonomer'; -import { RNA_MONOMER_DISTANCE } from 'application/editor/tools/RnaPreset'; import { SugarRenderer } from 'application/render'; -import { SNAKE_LAYOUT_CELL_WIDTH } from 'domain/entities/DrawingEntitiesManager'; +import { CELL_WIDTH } from 'domain/entities/DrawingEntitiesManager'; export class Nucleotide { constructor( @@ -67,7 +66,7 @@ export class Nucleotide { const topLeftItemPosition = position; const bottomItemPosition = position.add( Coordinates.canvasToModel( - new Vec2(0, RNA_MONOMER_DISTANCE + SugarRenderer.monomerSize.height), + new Vec2(0, CELL_WIDTH + SugarRenderer.monomerSize.height), ), ); @@ -79,7 +78,7 @@ export class Nucleotide { rnaBasePosition: bottomItemPosition, phosphate: phosphateLibraryItem, phosphatePosition: topLeftItemPosition.add( - Coordinates.canvasToModel(new Vec2(SNAKE_LAYOUT_CELL_WIDTH, 0)), + Coordinates.canvasToModel(new Vec2(CELL_WIDTH, 0)), ), }); From 56b88813bfe0d99fde85022aa6ed114ffcb8c5fc Mon Sep 17 00:00:00 2001 From: Maksim Labovich Date: Wed, 18 Dec 2024 11:07:08 +0300 Subject: [PATCH 3/4] 6026 - resolved build issue caused by merge --- packages/ketcher-core/src/application/editor/Editor.ts | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/packages/ketcher-core/src/application/editor/Editor.ts b/packages/ketcher-core/src/application/editor/Editor.ts index b2ad5e4525..643b5d3e84 100644 --- a/packages/ketcher-core/src/application/editor/Editor.ts +++ b/packages/ketcher-core/src/application/editor/Editor.ts @@ -45,7 +45,7 @@ import { DrawingEntitiesManager, MONOMER_START_X_POSITION, MONOMER_START_Y_POSITION, - SNAKE_LAYOUT_CELL_WIDTH, + CELL_WIDTH, } from 'domain/entities/DrawingEntitiesManager'; import { PolymerBond } from 'domain/entities/PolymerBond'; import { AttachmentPointName, MonomerItemType } from 'domain/types'; @@ -800,8 +800,8 @@ export class CoreEditor { ZoomTool.instance.scrollTo( new Vec2(drawnEntitiesBoundingBox.left, drawnEntitiesBoundingBox.top), false, - MONOMER_START_X_POSITION - SNAKE_LAYOUT_CELL_WIDTH / 4, - MONOMER_START_Y_POSITION - SNAKE_LAYOUT_CELL_WIDTH / 4, + MONOMER_START_X_POSITION - CELL_WIDTH / 4, + MONOMER_START_Y_POSITION - CELL_WIDTH / 4, false, ); } From 4ca1f52b89bc5752f32ab0f31c936570c8193653 Mon Sep 17 00:00:00 2001 From: Maksim Labovich Date: Thu, 19 Dec 2024 17:52:22 +0300 Subject: [PATCH 4/4] 6026 - updated snapshots --- ...ic-attachment-point-R-1-chromium-linux.png | Bin 6611 -> 6545 bytes ...-and-add-it-to-canvas-2-chromium-linux.png | Bin 14776 -> 14776 bytes ...Add-Guanine-to-canvas-1-chromium-linux.png | Bin 5696 -> 5696 bytes ...stom-preset-to-Canvas-1-chromium-linux.png | Bin 5571 -> 5574 bytes ...Combination-to-Canvas-1-chromium-linux.png | Bin 4770 -> 4770 bytes ...Combination-to-Canvas-1-chromium-linux.png | Bin 4735 -> 4740 bytes ...tween-RNA-nucleotides-1-chromium-linux.png | Bin 8637 -> 8631 bytes ...chain-with-nucleoside-1-chromium-linux.png | Bin 9163 -> 8100 bytes ...chain-with-nucleoside-2-chromium-linux.png | Bin 13341 -> 9679 bytes ...hain-with-side-chains-1-chromium-linux.png | Bin 21086 -> 18857 bytes ...leotides-and-peptides-1-chromium-linux.png | Bin 18173 -> 17297 bytes 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