Current Dev State

static/js/ketcher2/script/ui/action/atoms.js

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+/****************************************************************************
+ * Copyright 2017 EPAM Systems
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ *    http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ ***************************************************************************/
+
+export const basic = ['H', 'C', 'N', 'O', 'S', 'P',
+ 'F', 'Cl', 'Br', 'I'];
+
+export const atomCuts = {
+	"H": "h",
+	"C": "c",
+	"N": "n",
+	"O": "o",
+	"S": "s",
+	"P": "p",
+	"F": "f",
+	"Cl": "Shift+c",
+	"Br": "Shift+b",
+	"I": "i",
+	"A": "a"
+};
+
+export default Object.keys(atomCuts).reduce((res, label) => {
+	res[`atom-${label.toLowerCase()}`] = {
+		title: `Atom ${label}`,
+		shortcut: atomCuts[label],
+		action: {
+			tool: 'atom',
+			opts: { label }
+		}
+	};
+	return res;
+}, {});

static/js/ketcher2/script/ui/action/debug.js

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+/****************************************************************************
+ * Copyright 2017 EPAM Systems
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ *    http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ ***************************************************************************/
+
+import molfile from '../../chem/molfile';
+
+export default {
+	// original: for dev purposes
+	"force-update": {
+		shortcut: "Ctrl+Shift+r",
+		action: editor => {
+			editor.update(true);
+		}
+	},
+	"qs-serialize": {
+		shortcut: "Alt+Shift+r",
+		action: editor => {
+			const molStr = molfile.stringify(editor.struct());
+			const molQs = 'mol=' + encodeURIComponent(molStr).replace(/%20/g, '+');
+			const qs = document.location.search;
+			document.location.search = !qs ? '?' + molQs :
+				qs.search('mol=') === -1 ? qs + '&' + molQs :
+				qs.replace(/mol=[^&$]*/, molQs);
+		}
+	}
+}

static/js/ketcher2/script/ui/action/index.js

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+/****************************************************************************
+ * Copyright 2017 EPAM Systems
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ *    http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ ***************************************************************************/
+
+import tools from './tools';
+import atoms from './atoms';
+import zoom from './zoom';
+import server from './server';
+import debug from './debug';
+import templates from './templates';
+import { exec } from '../component/cliparea';
+import { miewAction } from '../state/miew';
+
+export default {
+	"new": {
+		shortcut: "Mod+Delete",
+		title: "Clear Canvas",
+		action: {
+			thunk: (dispatch, getState) => {
+				let editor = getState().editor;
+				if (!editor.struct().isBlank())
+					editor.struct(null);
+				dispatch({ type: 'ACTION', action: tools['select-lasso'].action });
+			}
+		}
+	},
+	"open": {
+		shortcut: "Mod+o",
+		title: "Open…",
+		action: { dialog: 'open' }
+	},
+	"save": {
+		shortcut: "Mod+s",
+		title: "Save As…",
+		action: { dialog: 'save' }
+	},
+	"undo": {
+		shortcut: "Mod+z",
+		title: "Undo",
+		action: editor => {
+			editor.undo();
+		},
+		disabled: editor => (
+			editor.historySize().undo === 0
+		)
+	},
+	"redo": {
+		shortcut: ["Mod+Shift+z", "Mod+y"],
+		title: "Redo",
+		action: editor => {
+			editor.redo();
+		},
+		disabled: editor => (
+			editor.historySize().redo === 0
+		)
+	},
+	"cut": {
+		shortcut: "Mod+x",
+		title: "Cut",
+		action: () => {
+			exec('cut') || dontClipMessage('Cut');
+		},
+		disabled: editor => !hasSelection(editor)
+	},
+	"copy": {
+		shortcut: "Mod+c",
+		title: "Copy",
+		action: () => {
+			exec('copy') || dontClipMessage('Copy');
+		},
+		disabled: editor => !hasSelection(editor)
+	},
+	"paste": {
+		shortcut: "Mod+v",
+		title: "Paste",
+		action: () => {
+			exec('paste') || dontClipMessage('Paste')
+		},
+		selected: ({ actions }) => (
+			actions && // TMP
+				actions.active && actions.active.tool === 'paste'
+		)
+	},
+	"check": {
+		title: "Check Structure",
+		action: { dialog: 'check' },
+		disabled: (editor, server, options) => !options.app.server
+	},
+	"analyse": {
+		title: "Calculated Values",
+		action: { dialog: 'analyse' },
+		disabled: (editor, server, options) => !options.app.server
+	},
+	"recognize": {
+		title: "Recognize Molecule",
+		action: { dialog: 'recognize' },
+		disabled: (editor, server, options) => !options.app.server
+	},
+	"miew": {
+		title: "3D Viewer",
+		action: { thunk: miewAction	},
+		disabled: (editor, server, options) => !options.app.server || !options.app.miewPath
+	},
+	"settings": {
+		title: "Settings",
+		action: { dialog: 'settings' }
+	},
+	"help": {
+		shortcut: ["?", "Shift+/"],
+		title: "Help",
+		action: { dialog: 'help' }
+	},
+	"about": {
+		title: "About",
+		action: { dialog: 'about' }
+	},
+	"reaction-automap": {
+		title: "Reaction Auto-Mapping Tool",
+		action: { dialog: 'automap' },
+		disabled: (editor, server, options) => !options.app.server || !editor.struct().hasRxnArrow()
+	},
+	"period-table": {
+		title: "Periodic Table",
+		action: { dialog: 'period-table' }
+	},
+	"select-all": {
+		title: "Select All",
+		shortcut: "Mod+a",
+		action: {
+			thunk: (dispatch, getState) => {
+				getState().editor.selection('all');
+				dispatch({ type: 'ACTION', action: tools['select-lasso'].action });
+			}
+		}
+	},
+	"deselect-all": {
+		title: "Deselect All",
+		shortcut: "Mod+Shift+a",
+		action: editor => {
+			editor.selection(null);
+		}
+	},
+	"select-descriptors": {
+		title: "Select descriptors",
+		shortcut: "Mod+d",
+		action: {
+			thunk: (dispatch, getState) => {
+				const editor = getState().editor;
+				editor.alignDescriptors();
+				editor.selection('descriptors');
+				dispatch({ type: 'ACTION', action: tools['select-lasso'].action });
+			}
+		}
+	},
+	...server,
+	...debug,
+	...tools,
+	...atoms,
+	...zoom,
+	...templates
+};
+
+function hasSelection(editor) {
+	let selection = editor.selection();
+	return selection &&  // if not only sgroupData selected
+		(Object.keys(selection).length > 1 || !selection.sgroupData);
+}
+
+function dontClipMessage(title) {
+	alert('These action is unavailble via menu.\n' +
+		'Instead, use shortcut to ' + title + '.');
+}

static/js/ketcher2/script/ui/action/server.js

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+/****************************************************************************
+ * Copyright 2017 EPAM Systems
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ *    http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ ***************************************************************************/
+
+import { serverTransform } from '../state/server';
+
+export default {
+	"layout": {
+		shortcut: "Mod+l",
+		title: "Layout",
+		action: {
+			thunk: serverTransform('layout')
+		},
+		disabled: (editor, server, options) => !options.app.server
+	},
+	"clean": {
+		shortcut: "Mod+Shift+l",
+		title: "Clean Up",
+		action: {
+			thunk: serverTransform('clean')
+		},
+		disabled: (editor, server, options) => !options.app.server
+	},
+	"arom": {
+		title: "Aromatize",
+		action: {
+			thunk: serverTransform('aromatize')
+		},
+		disabled: (editor, server, options) => !options.app.server
+	},
+	"dearom": {
+		title: "Dearomatize",
+		action: {
+			thunk: serverTransform('dearomatize')
+		},
+		disabled: (editor, server, options) => !options.app.server
+	},
+	"cip": {
+		shortcut: "Mod+p",
+		title: "Calculate CIP",
+		action: {
+			thunk: serverTransform('calculateCip')
+		},
+		disabled: (editor, server, options) => !options.app.server
+	}
+};

static/js/ketcher2/script/ui/action/templates.js

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+/****************************************************************************
+ * Copyright 2017 EPAM Systems
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ *    http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ ***************************************************************************/
+
+import templates from '../data/templates';
+
+const templateLib = {
+	"template-lib": {
+		shortcut: "Shift+t",
+		title: "Custom Templates",
+		action: { dialog: 'templates' },
+		disabled: (editor, server, options) => !options.app.templates
+	}
+};
+
+export default templates.reduce((res, struct, i) => {
+	res[`template-${i}`] = {
+		title: `${struct.name}`,
+		shortcut: 't',
+		action: {
+			tool: 'template',
+			opts: { struct }
+		}
+	};
+	return res;
+}, templateLib);
+

static/js/ketcher2/script/ui/action/tools.js

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+/****************************************************************************
+ * Copyright 2017 EPAM Systems
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ *    http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ ***************************************************************************/
+
+import { bond as bondSchema } from '../structschema';
+import { toBondType } from '../structconv';
+
+const toolActions = {
+	"select-lasso": {
+		title: "Lasso Selection",
+		shortcut: "Escape",
+		action: { tool: 'select', opts: 'lasso' }
+	},
+	"select-rectangle": {
+		title: "Rectangle Selection",
+		shortcut: "Escape",
+		action: { tool: 'select', opts: 'rectangle' }
+	},
+	"select-fragment": {
+		title: "Fragment Selection",
+		shortcut: "Escape",
+		action: { tool: 'select', opts: 'fragment' }
+	},
+	"erase": {
+		title: "Erase",
+		shortcut: ["Delete", "Backspace"],
+		action: { tool: 'eraser', opts: 1 } // TODO last selector mode is better
+	},
+	"chain": {
+		title: "Chain",
+		action: { tool: 'chain' }
+	},
+	"chiral-flag": {
+		title: "Chiral Flag",
+		action: { tool: 'chiralFlag' },
+		selected: editor => editor.struct().isChiral
+	},
+	"charge-plus": {
+		shortcut: "5",
+		title: "Charge Plus",
+		action: { tool: 'charge', opts: 1 }
+	},
+	"charge-minus": {
+		shortcut: "5",
+		title: "Charge Minus",
+		action: { tool: 'charge', opts: -1 }
+	},
+	"transform-rotate": {
+		shortcut: "Alt+r",
+		title: "Rotate Tool",
+		action: { tool: 'rotate' }
+	},
+	"transform-flip-h": {
+		shortcut: "Alt+h",
+		title: "Horizontal Flip",
+		action: { tool: 'rotate', opts: 'horizontal' }
+	},
+	"transform-flip-v": {
+		shortcut: "Alt+v",
+		title: "Vertical Flip",
+		action: { tool: 'rotate', opts: 'vertical' }
+	},
+	"sgroup": {
+		shortcut: "Mod+g",
+		title: "S-Group",
+		action: { tool: 'sgroup' }
+	},
+	"sgroup-data": {
+		shortcut: "Mod+g",
+		title: "Data S-Group",
+		action: { tool: 'sgroup', opts: 'DAT' }
+	},
+	"reaction-arrow": {
+		title: "Reaction Arrow Tool",
+		action: { tool: 'reactionarrow' }
+	},
+	"reaction-plus": {
+		title: "Reaction Plus Tool",
+		action: { tool: 'reactionplus' }
+	},
+	"reaction-map": {
+		title: "Reaction Mapping Tool",
+		action: { tool: 'reactionmap' }
+	},
+	"reaction-unmap": {
+		title: "Reaction Unmapping Tool",
+		action: { tool: 'reactionunmap' }
+	},
+	"rgroup-label": {
+		shortcut: "Mod+r",
+		title: "R-Group Label Tool",
+		action: { tool: 'rgroupatom' }
+	},
+	"rgroup-fragment": {
+		shortcut: ["Mod+Shift+r", "Mod+r"],
+		title: "R-Group Fragment Tool",
+		action: { tool: 'rgroupfragment' }
+	},
+	"rgroup-attpoints": {
+		shortcut: "Mod+r",
+		title: "Attachment Point Tool",
+		action: { tool: 'apoint' }
+	},
+};
+
+const bondCuts = {
+	"single": "1",
+	"double": "2",
+	"triple": "3",
+	"up": "1",
+	"down": "1",
+	"updown": "1",
+	"crossed": "2",
+	"any": "0",
+	"aromatic": "4",
+};
+
+const typeSchema = bondSchema.properties.type;
+
+export default typeSchema.enum.reduce((res, type, i) => {
+	res[`bond-${type}`] = {
+		title: `${typeSchema.enumNames[i]} Bond`,
+		shortcut: bondCuts[type],
+		action: {
+			tool: 'bond',
+			opts: toBondType(type)
+		}
+	};
+	return res;
+}, toolActions);

static/js/ketcher2/script/ui/action/zoom.js

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+/****************************************************************************
+ * Copyright 2017 EPAM Systems
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ *    http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ ***************************************************************************/
+
+import { findIndex, findLastIndex } from 'lodash/fp';
+
+export const zoomList = [
+	0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1,
+	1.1, 1.2, 1.3, 1.4, 1.5, 1.7, 2, 2.5, 3, 3.5, 4
+];
+
+export default {
+	"zoom": {
+		selected: editor => editor.zoom()
+	},
+	"zoom-out": {
+		shortcut: ["-", "_", "Shift+-"],
+		title: "Zoom Out",
+		disabled: editor => (
+			editor.zoom() <= zoomList[0] // unsave
+		),
+		action: editor => {
+			let zoom = editor.zoom();
+			let i = findIndex(z => z >= zoom, zoomList);
+			editor.zoom(
+				zoomList[(zoomList[i] === zoom && i > 0) ? i - 1 : i]
+			);
+		}
+	},
+	"zoom-in": {
+		shortcut: ["+", "=", "Shift+="],
+		title: "Zoom In",
+		disabled: editor => (
+			zoomList[zoomList.length - 1] <= editor.zoom()
+		),
+		action: editor => {
+			let zoom = editor.zoom();
+			let i = findLastIndex(z => z <= zoom, zoomList);
+			editor.zoom(
+				zoomList[(zoomList[i] === zoom && i < zoomList.length - 1) ? i + 1 : i]
+			);
+		}
+	}
+}