From 42ce6c902033a90ab1f8d391172507ae6b049354 Mon Sep 17 00:00:00 2001 From: NikoAnderson Date: Tue, 9 Jul 2024 15:19:07 -0400 Subject: [PATCH 1/2] ketcher bugfixes --- .../src/lib/ketcher-wrapper.component.html | 17 +++++++++ .../src/lib/ketcher-wrapper.component.scss | 6 ++-- .../ketcher/static/css/main.3fc9c0f8.css | 17 ++++++++- src/app/core/config/config.model.ts | 1 + .../structure-editor-implementation.model.ts | 33 ++++------------- .../structure-editor.component.html | 6 ++-- .../structure-editor.component.ts | 36 +++++++++++++------ ...bstance-form-structure-card.component.html | 2 +- ...substance-form-structure-card.component.ts | 8 ++++- .../substance-form.component.scss | 4 +++ .../substance-form.component.ts | 1 + 11 files changed, 85 insertions(+), 46 deletions(-) diff --git a/projects/ketcher-wrapper/src/lib/ketcher-wrapper.component.html b/projects/ketcher-wrapper/src/lib/ketcher-wrapper.component.html index ae7e17850..2bad5d234 100644 --- a/projects/ketcher-wrapper/src/lib/ketcher-wrapper.component.html +++ b/projects/ketcher-wrapper/src/lib/ketcher-wrapper.component.html @@ -1 +1,18 @@ + diff --git a/projects/ketcher-wrapper/src/lib/ketcher-wrapper.component.scss b/projects/ketcher-wrapper/src/lib/ketcher-wrapper.component.scss index f277fab22..46a2eacd7 100644 --- a/projects/ketcher-wrapper/src/lib/ketcher-wrapper.component.scss +++ b/projects/ketcher-wrapper/src/lib/ketcher-wrapper.component.scss @@ -4,13 +4,13 @@ border: none; } -button[title='3D Viewer'] { +::ng-deep button[title='3D Viewer'] { display:none; } - .LeftToolbar-module_group__0s41t.LeftToolbar-module_groupItem__OqQu0:has(button[data-testid=\'reaction-plus\']) { + ::ng-deep .LeftToolbar-module_group__0s41t.LeftToolbar-module_groupItem__OqQu0:has(button[data-testid=\'reaction-plus\']) { display: none; } - .LeftToolbar-module_group__0s41t.LeftToolbar-module_groupItem__OqQu0:has(button[data-testid=\'shape-ellipse\']) { + ::ng-deep .LeftToolbar-module_group__0s41t.LeftToolbar-module_groupItem__OqQu0:has(button[data-testid=\'shape-ellipse\']) { display: none; } div#root{ diff --git a/src/app/core/assets/ketcher/static/css/main.3fc9c0f8.css b/src/app/core/assets/ketcher/static/css/main.3fc9c0f8.css index e524478eb..fa24987e4 100644 --- a/src/app/core/assets/ketcher/static/css/main.3fc9c0f8.css +++ b/src/app/core/assets/ketcher/static/css/main.3fc9c0f8.css @@ -1 +1,16 @@ -:where(html){line-height:1.15}:where(h1){font-size:2em;margin-block-end:.67em;margin-block-start:.67em}:where(dl,ol,ul) :where(dl,ol,ul){margin-block-end:0;margin-block-start:0}:where(hr){box-sizing:content-box;color:inherit;height:0}:where(pre){font-family:monospace,monospace;font-size:1em}:where(abbr[title]){text-decoration:underline;-webkit-text-decoration:underline dotted;text-decoration:underline 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::-webkit-scrollbar-track{background-color:transparent}.Dialog-module_body__YgzDR::-webkit-scrollbar{background-color:#eff2f5;height:6px;width:6px}.Dialog-module_body__YgzDR::-webkit-scrollbar-thumb{background-color:rgba(165,175,185,.85);border-radius:10px;-webkit-border-radius:10px}.Dialog-module_body__YgzDR::-webkit-scrollbar-thumb:active,.Dialog-module_body__YgzDR::-webkit-scrollbar-thumb:hover{background-color:#a5afb9}.Dialog-module_withMargin__SDH61{margin:0 12px}.LoadingCircles-module_container__MPCs0{align-items:flex-start;display:flex;flex-direction:row;height:12px;justify-content:space-between;margin-top:10px;width:40px}.LoadingCircles-module_container__MPCs0 span{border:2px solid #005662;border-radius:100%;box-sizing:border-box;display:inline-block;height:8px;width:8px}.LoadingCircles-module_container__MPCs0 span:first-child{animation:LoadingCircles-module_bounce__gCepS 1s ease-in-out infinite}.LoadingCircles-module_container__MPCs0 span:nth-child(2){animation:LoadingCircles-module_bounce__gCepS 1s ease-in-out .33s infinite}.LoadingCircles-module_container__MPCs0 span:nth-child(3){animation:LoadingCircles-module_bounce__gCepS 1s ease-in-out .66s infinite}@keyframes LoadingCircles-module_bounce__gCepS{0%,75%,to{transform:translateY(0)}25%{transform:translateY(-100%)}}.StructEditor-module_button-common-styles__3P7PO{align-items:center;border-radius:4px;display:inline-flex;font-size:12px;height:24px;justify-content:center;line-height:14px;min-width:70px;outline:none}.StructEditor-module_scrollbar__SUs-o{scrollbar-width:thin}.StructEditor-module_scrollbar__SUs-o ::-webkit-scrollbar-track{background-color:transparent}.StructEditor-module_scrollbar__SUs-o::-webkit-scrollbar{background-color:#eff2f5;height:6px;width:6px}.StructEditor-module_scrollbar__SUs-o::-webkit-scrollbar-thumb{background-color:rgba(165,175,185,.85);border-radius:10px;-webkit-border-radius:10px}.StructEditor-module_scrollbar__SUs-o::-webkit-scrollbar-thumb:active,.StructEditor-module_scrollbar__SUs-o::-webkit-scrollbar-thumb:hover{background-color:#a5afb9}.StructEditor-module_spinnerOverlay__5H1IM{align-items:center;display:flex;height:100%;justify-content:center;position:absolute;top:0;width:100%}.StructEditor-module_canvas__LLnzh{overflow:hidden;position:relative;scrollbar-width:thin;-webkit-user-select:none;-moz-user-select:none;user-select:none}.StructEditor-module_canvas__LLnzh .StructEditor-module_measureLog__B2wuy{background-color:#fff;border:1px solid #cad3dd;border-radius:0 5px;height:1.2em;min-width:8em;opacity:0;padding:.3em;position:absolute;right:0;text-align:center;top:0;transition:opacity .5s}.StructEditor-module_canvas__LLnzh .StructEditor-module_measureLog__B2wuy.StructEditor-module_visible__3eFNB{opacity:1}.StructEditor-module_canvas__LLnzh 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::-webkit-scrollbar-track{background-color:transparent}.ToggleButtonGroup-module_scrollbar__lvyIF::-webkit-scrollbar{background-color:#eff2f5;height:6px;width:6px}.ToggleButtonGroup-module_scrollbar__lvyIF::-webkit-scrollbar-thumb{background-color:rgba(165,175,185,.85);border-radius:10px;-webkit-border-radius:10px}.ToggleButtonGroup-module_scrollbar__lvyIF::-webkit-scrollbar-thumb:active,.ToggleButtonGroup-module_scrollbar__lvyIF::-webkit-scrollbar-thumb:hover{background-color:#a5afb9}.ToggleButtonGroup-module_button__5nfNK{background-color:#fff;background-image:none;border-color:#cad3dd;border-color:#585858!important;border-radius:4px;color:#333;color:#585858!important;cursor:pointer;display:inline-block;font-size:12px;height:24px;margin:0;text-align:center;text-transform:none!important;-webkit-user-select:none;-moz-user-select:none;user-select:none;vertical-align:middle;white-space:nowrap}.ToggleButtonGroup-module_button__5nfNK:active{background-image:none;outline:0}.ToggleButtonGroup-module_button__5nfNK[disabled],fieldset[disabled] 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center}.DraftEditor-editorContainer,.DraftEditor-root,.public-DraftEditor-content{height:inherit;text-align:left;text-align:initial}.public-DraftEditor-content[contenteditable=true]{-webkit-user-modify:read-write-plaintext-only}.DraftEditor-root{position:relative}.DraftEditor-editorContainer{background-color:hsla(0,0%,100%,0);border-left:.1px solid transparent;position:relative;z-index:1}.public-DraftEditor-block{position:relative}.DraftEditor-alignLeft .public-DraftStyleDefault-block{text-align:left}.DraftEditor-alignLeft .public-DraftEditorPlaceholder-root{left:0;text-align:left}.DraftEditor-alignCenter .public-DraftStyleDefault-block{text-align:center}.DraftEditor-alignCenter .public-DraftEditorPlaceholder-root{margin:0 auto;text-align:center;width:100%}.DraftEditor-alignRight .public-DraftStyleDefault-block{text-align:right}.DraftEditor-alignRight .public-DraftEditorPlaceholder-root{right:0;text-align:right}.public-DraftEditorPlaceholder-root{color:#9197a3;position:absolute;width:100%;z-index:1}.public-DraftEditorPlaceholder-hasFocus{color:#bdc1c9}.DraftEditorPlaceholder-hidden{display:none}.public-DraftStyleDefault-block{position:relative;white-space:pre-wrap}.public-DraftStyleDefault-ltr{direction:ltr;text-align:left}.public-DraftStyleDefault-rtl{direction:rtl;text-align:right}.public-DraftStyleDefault-listLTR{direction:ltr}.public-DraftStyleDefault-listRTL{direction:rtl}.public-DraftStyleDefault-ol,.public-DraftStyleDefault-ul{margin:16px 0;padding:0}.public-DraftStyleDefault-depth0.public-DraftStyleDefault-listLTR{margin-left:1.5em}.public-DraftStyleDefault-depth0.public-DraftStyleDefault-listRTL{margin-right:1.5em}.public-DraftStyleDefault-depth1.public-DraftStyleDefault-listLTR{margin-left:3em}.public-DraftStyleDefault-depth1.public-DraftStyleDefault-listRTL{margin-right:3em}.public-DraftStyleDefault-depth2.public-DraftStyleDefault-listLTR{margin-left:4.5em}.public-DraftStyleDefault-depth2.public-DraftStyleDefault-listRTL{margin-right:4.5em}.public-DraftStyleDefault-depth3.public-DraftStyleDefault-listLTR{margin-left:6em}.public-DraftStyleDefault-depth3.public-DraftStyleDefault-listRTL{margin-right:6em}.public-DraftStyleDefault-depth4.public-DraftStyleDefault-listLTR{margin-left:7.5em}.public-DraftStyleDefault-depth4.public-DraftStyleDefault-listRTL{margin-right:7.5em}.public-DraftStyleDefault-unorderedListItem{list-style-type:square;position:relative}.public-DraftStyleDefault-unorderedListItem.public-DraftStyleDefault-depth0{list-style-type:disc}.public-DraftStyleDefault-unorderedListItem.public-DraftStyleDefault-depth1{list-style-type:circle}.public-DraftStyleDefault-orderedListItem{list-style-type:none;position:relative}.public-DraftStyleDefault-orderedListItem.public-DraftStyleDefault-listLTR:before{left:-36px;position:absolute;text-align:right;width:30px}.public-DraftStyleDefault-orderedListItem.public-DraftStyleDefault-listRTL:before{position:absolute;right:-36px;text-align:left;width:30px}.public-DraftStyleDefault-orderedListItem:before{content:counter(ol0) ". ";counter-increment:ol0}.public-DraftStyleDefault-orderedListItem.public-DraftStyleDefault-depth1:before{content:counter(ol1,lower-alpha) ". ";counter-increment:ol1}.public-DraftStyleDefault-orderedListItem.public-DraftStyleDefault-depth2:before{content:counter(ol2,lower-roman) ". ";counter-increment:ol2}.public-DraftStyleDefault-orderedListItem.public-DraftStyleDefault-depth3:before{content:counter(ol3) ". ";counter-increment:ol3}.public-DraftStyleDefault-orderedListItem.public-DraftStyleDefault-depth4:before{content:counter(ol4,lower-alpha) ". ";counter-increment:ol4}.public-DraftStyleDefault-depth0.public-DraftStyleDefault-reset{counter-reset:ol0}.public-DraftStyleDefault-depth1.public-DraftStyleDefault-reset{counter-reset:ol1}.public-DraftStyleDefault-depth2.public-DraftStyleDefault-reset{counter-reset:ol2}.public-DraftStyleDefault-depth3.public-DraftStyleDefault-reset{counter-reset:ol3}.public-DraftStyleDefault-depth4.public-DraftStyleDefault-reset{counter-reset:ol4}.PolymerToggler_switch__iQXkf{bottom:50px;display:block;height:14px;position:fixed;right:50px;width:24px}.PolymerToggler_switch__iQXkf input{display:none}.PolymerToggler_slider__FDO\+1{background-color:#c4c4c4;border-radius:7px;bottom:0;cursor:pointer;height:14px;position:absolute;right:0;transition:background .4s;width:26px}.PolymerToggler_slider__FDO\+1:before{background-color:#343434;border-radius:50%;content:"";height:10px;left:2px;position:absolute;top:2px;transition:transform .4s ease-in 0s;width:10px}.PolymerToggler_switch__iQXkf input:checked+.PolymerToggler_slider__FDO\+1{background-color:#343434}.PolymerToggler_switch__iQXkf input:checked+.PolymerToggler_slider__FDO\+1:before{background-color:#fff;transform:translateX(12px)} +button[title='3D Viewer'] { + display:none; +} +.LeftToolbar-module_group__0s41t.LeftToolbar-module_groupItem__OqQu0:has(button[data-testid='reaction-plus']) { + display: none; +} +.LeftToolbar-module_group__0s41t.LeftToolbar-module_groupItem__OqQu0:has(button[data-testid='shape-ellipse']) { + display: none; +} +div#root{ + border: 0.001em solid white; +} +div#root:focus-within { + border: 0.001em solid blue !important; +} \ No newline at end of file diff --git a/src/app/core/config/config.model.ts b/src/app/core/config/config.model.ts index 82940e9f6..fcf301bd9 100644 --- a/src/app/core/config/config.model.ts +++ b/src/app/core/config/config.model.ts @@ -76,6 +76,7 @@ export interface Config { nameFormPageSizeOptions?: Array; nameFormPageSizeDefault?: number; jsdrawLicense?: boolean; + disableKetcher?: boolean; useApprovalAPI?: boolean; } diff --git a/src/app/core/structure-editor/structure-editor-implementation.model.ts b/src/app/core/structure-editor/structure-editor-implementation.model.ts index c1f8d667b..f2015d3a6 100644 --- a/src/app/core/structure-editor/structure-editor-implementation.model.ts +++ b/src/app/core/structure-editor/structure-editor-implementation.model.ts @@ -58,27 +58,10 @@ export class EditorImplementation implements Editor { return new Observable(observer => { if (this.ketcher && this.ketcher != null) { from(this.ketcher.getMolfile()).pipe(take(1)).subscribe(result => { - console.log(result); let mfile = result; - mfile = mfile.replace(/0.0000[ ]D[ ][ ][ ]/g, '0.0000 H '); - const chargeLine = this.getMCharge(); - - if (mfile.indexOf('M CHG') < 0) { - if (chargeLine !== null) { - const lines = mfile.split('\n'); - for (let i = lines.length - 1; i >= 3; i--) { - if (lines[i] === 'M END') { - const old = lines[i]; - lines[i] = chargeLine; - lines[i + 1] = old; - mfile = lines.join('\n'); - break; - } - } - } observer.next(mfile); - } + }); @@ -114,7 +97,6 @@ export class EditorImplementation implements Editor { getSmiles(): Observable { if (this.ketcher != null) { return from(this.ketcher.getSmiles()).pipe(switchMap(data => { - console.log(data); return data;})); } else if (this.jsdraw != null) { return new Observable(observer => { @@ -180,21 +162,20 @@ export class EditorImplementation implements Editor { }); }; } else if (this.ketcher != null) { - /* disabled - keeping ketcher changes processed in the editor component to prevent async structure issues when switching this.ketcher.editor.subscribe('change', operations => { - console.log(operations) if(!(operations.length == 1 && operations[0].operation == 'Load canvas')){ - console.log('not a new load'); - from(this.ketcher.getMolfile()).pipe(take(1)).subscribe(result => { console.log(result); + from(this.ketcher.getMolfile()).pipe(take(1)).subscribe(result => { observer.next(result); }); } else { - console.log(this.tempMol) - observer.next(this.tempMol); + this.getMolfile().pipe(take(1)).subscribe(result => { + observer.next(result); + }); + // observer.next(this.tempMol); } - });*/ + });//*/ } else { diff --git a/src/app/core/structure-editor/structure-editor.component.html b/src/app/core/structure-editor/structure-editor.component.html index 5b7bfdf55..c5179a12a 100644 --- a/src/app/core/structure-editor/structure-editor.component.html +++ b/src/app/core/structure-editor/structure-editor.component.html @@ -1,6 +1,6 @@ -
- - +
{{structureEditor}} + +
diff --git a/src/app/core/structure-editor/structure-editor.component.ts b/src/app/core/structure-editor/structure-editor.component.ts index 7dce19f83..e81ac3d71 100644 --- a/src/app/core/structure-editor/structure-editor.component.ts +++ b/src/app/core/structure-editor/structure-editor.component.ts @@ -50,6 +50,7 @@ export class StructureEditorComponent implements OnInit, AfterViewInit, OnDestro canvasMessage = ''; tempClass = ""; enableJSDraw = true; + enableKetcher = true; private overlayContainer: HTMLElement; @ViewChild('structure_canvas', { static: false }) myCanvas: ElementRef; @@ -147,12 +148,7 @@ export class StructureEditorComponent implements OnInit, AfterViewInit, OnDestro window.addEventListener('click',this.listener); this.overlayContainer = this.overlayContainerService.getContainerElement(); - if (this.configService && this.configService.configData && this.configService.configData.jsdrawLicense ) { - this.enableJSDraw = this.configService.configData.jsdrawLicense; - if (!this.enableJSDraw) { - this.structureEditor = 'ketcher'; - } - } + if (isPlatformBrowser(this.platformId)) { @@ -164,7 +160,6 @@ export class StructureEditorComponent implements OnInit, AfterViewInit, OnDestro this.structureEditor = environment.structureEditor; let pref = sessionStorage.getItem('gsrsStructureEditor'); - console.log(pref); if (pref && this.enableJSDraw) { if (pref === 'ketcher') { this.structureEditor = 'ketcher'; @@ -172,6 +167,20 @@ export class StructureEditorComponent implements OnInit, AfterViewInit, OnDestro this.structureEditor = 'jsdraw'; } } + + if (this.configService && this.configService.configData && this.configService.configData.jsdrawLicense ) { + this.enableJSDraw = this.configService.configData.jsdrawLicense; + if (!this.enableJSDraw) { + this.structureEditor = 'ketcher'; + } + } else if (this.configService && this.configService.configData && this.configService.configData.disableKetcher ) { + this.enableKetcher = !this.configService.configData.disableKetcher; + + if (!this.enableKetcher) { + this.structureEditor = 'jsdraw'; + } + } + this.editorSwitched.emit(this.structureEditor); if ( !window['JSDraw']) { @@ -211,7 +220,7 @@ export class StructureEditorComponent implements OnInit, AfterViewInit, OnDestro const node = document.createElement('link'); node.href = `${environment.baseHref || ''}assets/ketcherOld/ketcher.css`; node.rel="stylesheet"; - document.getElementsByTagName('head')[0].appendChild(node); + // document.getElementsByTagName('head')[0].appendChild(node); const node2 = document.createElement('link'); node2.href = `${environment.baseHref || ''}assets/ketcher/static/css/main.3fc9c0f8.css`; @@ -223,6 +232,12 @@ export class StructureEditorComponent implements OnInit, AfterViewInit, OnDestro ketcherOnLoad(ketcher: any): void { this.ketcher = ketcher; this.ketcherLoaded = true; + this.ketcher.editor.event.change.handlers.push({f:(c)=>{ + let mfile = [null]; + mfile[0]=this.ketcher.getMolfile(); + this.getSketcher().setFile(mfile[0], "mol"); + } + }); } getSketcher(){ @@ -258,6 +273,7 @@ export class StructureEditorComponent implements OnInit, AfterViewInit, OnDestro } this.editor.getMolfile().pipe(take(1)).subscribe(Response => { + this.structureEditor = 'ketcher'; this.editor = new EditorImplementation(this.ketcher); this.structureService.interpretStructure(Response).subscribe(resp => { @@ -282,7 +298,6 @@ export class StructureEditorComponent implements OnInit, AfterViewInit, OnDestro this.editorSwitched.emit(this.structureEditor); if (this.firstload && this.structureEditor === 'ketcher' ) { - console.log('loadking ketcher'); document.getElementById("root").style.display=""; this.waitForKetcherFirstLoad(); this.firstload = false; @@ -298,8 +313,7 @@ export class StructureEditorComponent implements OnInit, AfterViewInit, OnDestro setTimeout(() => { this.ketcher = window['ketcher']; this.ketcherLoaded = true; - - console.log('ketcher loaded'); + document.getElementById("root").style.display=""; this.editor = new EditorImplementation(this.ketcher); this.editorOnLoad.emit(this.editor); this.editorSwitched.emit(this.structureEditor); diff --git a/src/app/core/substance-form/structure/substance-form-structure-card.component.html b/src/app/core/substance-form/structure/substance-form-structure-card.component.html index 0d2651b52..798bba5a7 100644 --- a/src/app/core/substance-form/structure/substance-form-structure-card.component.html +++ b/src/app/core/substance-form/structure/substance-form-structure-card.component.html @@ -1,7 +1,7 @@
- +
diff --git a/src/app/core/substance-form/structure/substance-form-structure-card.component.ts b/src/app/core/substance-form/structure/substance-form-structure-card.component.ts index 3e19f4656..21b2a4ea2 100644 --- a/src/app/core/substance-form/structure/substance-form-structure-card.component.ts +++ b/src/app/core/substance-form/structure/substance-form-structure-card.component.ts @@ -122,6 +122,12 @@ export class SubstanceFormStructureCardComponent extends SubstanceFormBase imple this.isInitializing = false; } + changeEditor(event: any) { + if (this.structure && this.structureEditor && this.structure.molfile) { + // this.loadStructure(); + } + } + loadStructure(): void { if (this.structure && this.structureEditor && this.structure.molfile) { this.isInitializing = true; @@ -131,7 +137,7 @@ export class SubstanceFormStructureCardComponent extends SubstanceFormBase imple // imported structures from search results require a second structure refresh to display stereochemistry and other calculated fields if ( this.activatedRoute && this.activatedRoute.snapshot.queryParams && this.activatedRoute.snapshot.queryParams['importStructure']) { setTimeout(()=>{ - this.updateStructureForm(this.structure.molfile), 2000 + this.updateStructureForm(this.structure.molfile), 1000 }); } this.isInitializing = false; diff --git a/src/app/core/substance-form/substance-form.component.scss b/src/app/core/substance-form/substance-form.component.scss index 24a8cadae..26e9d3b51 100644 --- a/src/app/core/substance-form/substance-form.component.scss +++ b/src/app/core/substance-form/substance-form.component.scss @@ -235,3 +235,7 @@ word-break: break-word; color: var(--link-color); height: 33px; } + +.mat-button, .mat-icon-button, .mat-stroked-button, .mat-flat-button { + min-width: auto; +} \ No newline at end of file diff --git a/src/app/core/substance-form/substance-form.component.ts b/src/app/core/substance-form/substance-form.component.ts index 54113e7e7..741016546 100644 --- a/src/app/core/substance-form/substance-form.component.ts +++ b/src/app/core/substance-form/substance-form.component.ts @@ -1215,6 +1215,7 @@ getDrafts() { this.substanceFormService.bypassUpdateCheck(); if (response === 'continue') { this.router.navigate(['/substances', this.id, 'edit']); + setTimeout(()=>{window.location.reload();},50); } else if (response === 'browse') { this.router.navigate(['/browse-substance']); } else if (response === 'staging') { From e17d2f135a989b71d33801a94187eb46199b97f7 Mon Sep 17 00:00:00 2001 From: NikoAnderson Date: Tue, 9 Jul 2024 16:49:14 -0400 Subject: [PATCH 2/2] cleanup --- src/app/core/structure-editor/structure-editor.component.html | 2 +- .../structure/substance-form-structure-card.component.ts | 3 +-- 2 files changed, 2 insertions(+), 3 deletions(-) diff --git a/src/app/core/structure-editor/structure-editor.component.html b/src/app/core/structure-editor/structure-editor.component.html index c5179a12a..cd72e97c4 100644 --- a/src/app/core/structure-editor/structure-editor.component.html +++ b/src/app/core/structure-editor/structure-editor.component.html @@ -1,4 +1,4 @@ -
{{structureEditor}} +
diff --git a/src/app/core/substance-form/structure/substance-form-structure-card.component.ts b/src/app/core/substance-form/structure/substance-form-structure-card.component.ts index 21b2a4ea2..9fe81087d 100644 --- a/src/app/core/substance-form/structure/substance-form-structure-card.component.ts +++ b/src/app/core/substance-form/structure/substance-form-structure-card.component.ts @@ -76,7 +76,6 @@ export class SubstanceFormStructureCardComponent extends SubstanceFormBase imple } else { this.menuLabelUpdate.emit('Structure'); const structSubscription = this.substanceFormStructureService.substanceStructure.subscribe(structure => { - this.structure = structure; this.loadStructure(); }); @@ -154,6 +153,7 @@ export class SubstanceFormStructureCardComponent extends SubstanceFormBase imple this.structure.molfile = molfile; this.structureService.interpretStructure(molfile).subscribe(response => { this.processStructurePostResponse(response); + this.structure.molfile = molfile; }); } } @@ -166,7 +166,6 @@ export class SubstanceFormStructureCardComponent extends SubstanceFormBase imple if (this.substanceType === 'polymer' || this.structure['hash'] !== structurePostResponse.structure['hash'] || this.structure['charge'] !== structurePostResponse.structure['charge']) { - this.smiles = structurePostResponse.structure.smiles; this.mol = structurePostResponse.structure.molfile; // this is sometimes overly ambitious