enviPy-bayer/static/js/ketcher2/script/ui/data/sdata-schema.js

/****************************************************************************
 * 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 { mapOf } from '../utils';

const radioButtonsSchema =  {
	enum: [
		"Absolute",
		"Relative",
		"Attached"
	],
	default: "Absolute"
};

const contextSchema = {
	title: 'Context',
	enum: [
		'Fragment',
		'Multifragment',
		'Bond',
		'Atom',
		'Group'
	],
	default: 'Fragment'
};

const sData = {
	Fragment: {
		title: 'Fragment',
		type: 'Object',
		oneOf: [
			{
				key: 'FRG_STR',
				title: 'MDLBG_FRAGMENT_STEREO',
				properties: {
					type: { enum: ["DAT"] },
					fieldName: {
						title: 'Field name',
						enum: ["MDLBG_FRAGMENT_STEREO"],
						default: "MDLBG_FRAGMENT_STEREO"
					},
					fieldValue: {
						title: "Field value",
						type: 'array',
						items: {
							enum: [
								"abs",
								"(+)-enantiomer",
								"(-)-enantiomer",
								"racemate",
								"steric",
								"rel",
								"R(a)",
								"S(a)",
								"R(p)",
								"S(p)"
							]
						},
						default: ["abs"]
					},
					radiobuttons: radioButtonsSchema
				},
				required: ["fieldName", "fieldValue", "radiobuttons"]
			},
			{
				key: 'FRG_COEFF',
				title: 'MDLBG_FRAGMENT_COEFFICIENT',
				properties: {
					type: { enum: ["DAT"] },
					fieldName: {
						title: "Field name",
						enum: ["MDLBG_FRAGMENT_COEFFICIENT"],
						default: "MDLBG_FRAGMENT_COEFFICIENT"
					},
					fieldValue: {
						title: "Field value",
						type: "string",
						default: "",
						minLength: 1,
						invalidMessage: "Please, specify field name"
					},
					radiobuttons: radioButtonsSchema
				},
				required: ["fieldName", "fieldValue", "radiobuttons"]
			},
			{
				key: 'FRG_CHRG',
				title: 'MDLBG_FRAGMENT_CHARGE',
				properties: {
					type: { enum: ["DAT"] },
					fieldName: {
						title: 'Field name',
						enum: ["MDLBG_FRAGMENT_CHARGE"],
						default: "MDLBG_FRAGMENT_CHARGE"
					},
					fieldValue: {
						title: "Field value",
						type: "string",
						default: "",
						minLength: 1,
						invalidMessage: "Please, specify field name"
					},
					radiobuttons: radioButtonsSchema
				},
				required: ["fieldName", "fieldValue", "radiobuttons"]
			},
			{
				key: 'FRG_RAD',
				title: 'MDLBG_FRAGMENT_RADICALS',
				properties: {
					type: { enum: ["DAT"] },
					fieldName: {
						title: "Field name",
						enum: ["MDLBG_FRAGMENT_RADICALS"],
						default: "MDLBG_FRAGMENT_RADICALS"
					},
					fieldValue: {
						title: "Field value",
						type: "string",
						default: "",
						minLength: 1,
						invalidMessage: "Please, specify field name"
					},
					radiobuttons: radioButtonsSchema
				},
				required: ["fieldName", "fieldValue", "radiobuttons"]
			},
		]
	},
	Multifragment: {
		title: 'Multifragment',
		type: 'Object',
		oneOf: [
			{
				key: 'MLT_FRG',
				title: 'KETCHER_MULTIPLE_FRAGMENT',
				properties: {
					type: { enum: ["DAT"] },
					fieldName: {
						title: 'Field name',
						enum: ["KETCHER_MULTIPLE_FRAGMENT"],
						default: "KETCHER_MULTIPLE_FRAGMENT"
					},
					fieldValue: {
						title: "Field value",
						type: 'array',
						items: {
							enum: [
								"aerosol",
								"alloy",
								"catenane",
								"complex",
								"composite",
								"co-polymer",
								"emulsion",
								"host-guest complex",
								"mixture",
								"rotaxane",
								"suspension"
							]
						},
						default: ["aerosol"]
					},
					radiobuttons: radioButtonsSchema
				},
				required: ["fieldName", "fieldValue", "radiobuttons"]
			}
		]
	},
	Bond: {
		title: 'Bond',
		type: 'Object',
		oneOf: [
			{
				key: 'SB_STR',
				title: 'MDLBG_STEREO_KEY',
				properties: {
					type: { enum: ["DAT"] },
					fieldName: {
						title: "Field name",
						enum: ["MDLBG_STEREO_KEY"],
						default: "MDLBG_STEREO_KEY"
					},
					fieldValue: {
						title: "Field value",
						type: 'array',
						items: {
							enum: [
								"erythro",
								"threo",
								"alpha",
								"beta",
								"endo",
								"exo",
								"anti",
								"syn",
								"ECL",
								"STG"
							]
						},
						default: ["erythro"]
					},
					radiobuttons: radioButtonsSchema
				},
				required: ["fieldName", "fieldValue", "radiobuttons"]
			},
			{
				key: 'SB_BND',
				title: 'MDLBG_BOND_KEY',
				properties: {
					type: { enum: ["DAT"] },
					fieldName: {
						title: "Field name",
						enum: ["MDLBG_BOND_KEY"],
						default: "MDLBG_BOND_KEY"
					},
					fieldValue: {
						title: "Field value",
						type: 'array',
						items: {
							enum: [
								"Value=4"
							]
						},
						default: ["Value=4"]
					},
					radiobuttons: radioButtonsSchema
				},
				required: ["fieldName", "fieldValue", "radiobuttons"]
			}
		]
	},
	Atom: {
		title: 'Atom',
		type: 'Object',
		oneOf: [
			{
				key: 'AT_STR',
				title: 'MDLBG_STEREO_KEY',
				properties: {
					type: { enum: ["DAT"] },
					fieldName: {
						title: "Field name",
						enum: ["MDLBG_STEREO_KEY"],
						default: "MDLBG_STEREO_KEY"
					},
					fieldValue: {
						title: "Field value",
						type: 'array',
						items: {
							enum: [
								"RS",
								"SR",
								"P-3",
								"P-3-PI",
								"SP-4",
								"SP-4-PI",
								"T-4",
								"T-4-PI",
								"SP-5",
								"SP-5-PI",
								"TB-5",
								"TB-5-PI",
								"OC-6",
								"TP-6",
								"PB-7",
								"CU-8",
								"SA-8",
								"DD-8",
								"HB-9",
								"TPS-9"
							],
						},
						default: ["RS"]
					},
					radiobuttons: radioButtonsSchema
				},
				required: ["fieldName", "fieldValue", "radiobuttons"]
			}
		]
	},
	Group: {
		title: 'Group',
		type: 'Object',
		oneOf: [
			{
				key: 'GRP_STR',
				title: 'MDLBG_STEREO_KEY',
				properties: {
					type: { enum: ["DAT"] },
					fieldName: {
						title: "Field name",
						enum: ["MDLBG_STEREO_KEY"],
						default: "MDLBG_STEREO_KEY"
					},
					fieldValue: {
						title: "Field value",
						type: 'array',
						items: {
							enum: [
								"cis",
								"trans"
							]
						},
						default: ["cis"]
					},
					radiobuttons: radioButtonsSchema
				},
				required: ["fieldName", "fieldValue", "radiobuttons"]
			}
		]
	}
};

export const sdataCustomSchema = {
	key: 'Custom',
	properties: {
		type: { enum: ["DAT"] },
		context: {
			title: 'Context',
			enum: [
				'Fragment',
				'Multifragment',
				'Bond',
				'Atom',
				'Group'
			],
			default: 'Fragment'
		},
		fieldName: {
			title: 'Field name',
			type: "string",
			default: "",
			minLength: 1,
			invalidMessage: "Please, specify field name"
		},
		fieldValue: {
			title: 'Field value',
			type: "string",
			default: "",
			minLength: 1,
			invalidMessage: "Please, specify field value"
		},
		radiobuttons: {
			enum: [
				"Absolute",
				"Relative",
				"Attached"
			],
			default: "Absolute"
		}
	},
	required: ["context", "fieldName", "fieldValue", "radiobuttons"]
};

export const sdataSchema = Object.keys(sData).reduce((acc, title) => {
	acc[title] = mapOf(sData[title], 'fieldName');
	Object.keys(acc[title]).forEach(fieldName => acc[title][fieldName].properties.context = contextSchema);
	return acc;
}, {});

/**
 * Returns first key of passed object
 * @param obj { object }
 */
function firstKeyOf(obj) {
	return Object.keys(obj)[0];
}

/**
 * Returns schema default values. Depends on passed arguments:
 * pass schema only -> returns default context
 * pass schema & context -> returns default fieldName
 * pass schema & context & fieldName -> returns default fieldValue
 * @param context? { string }
 * @param fieldName? { string }
 * @returns { string }
 */
export function getSdataDefault(context, fieldName) {
	if (!context && !fieldName)
		return firstKeyOf(sdataSchema);

	if (!fieldName)
		return firstKeyOf(sdataSchema[context]);

	return sdataSchema[context][fieldName] ?
		sdataSchema[context][fieldName].properties.fieldValue.default :
		'';
}