forked from enviPath/enviPy
Current Dev State
This commit is contained in:
Tim Lorsbach
402
static/js/ketcher2/script/ui/data/sdata-schema.js
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402
static/js/ketcher2/script/ui/data/sdata-schema.js
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/****************************************************************************
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* Copyright 2017 EPAM Systems
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*
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* Licensed under the Apache License, Version 2.0 (the "License");
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* you may not use this file except in compliance with the License.
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* You may obtain a copy of the License at
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*
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* http://www.apache.org/licenses/LICENSE-2.0
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*
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* Unless required by applicable law or agreed to in writing, software
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* distributed under the License is distributed on an "AS IS" BASIS,
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* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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* See the License for the specific language governing permissions and
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* limitations under the License.
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***************************************************************************/
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import { mapOf } from '../utils';
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const radioButtonsSchema = {
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enum: [
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"Absolute",
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"Relative",
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"Attached"
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],
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default: "Absolute"
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};
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const contextSchema = {
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title: 'Context',
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enum: [
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'Fragment',
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'Multifragment',
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'Bond',
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'Atom',
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'Group'
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],
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default: 'Fragment'
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};
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const sData = {
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Fragment: {
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title: 'Fragment',
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type: 'Object',
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oneOf: [
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{
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key: 'FRG_STR',
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title: 'MDLBG_FRAGMENT_STEREO',
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properties: {
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type: { enum: ["DAT"] },
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fieldName: {
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title: 'Field name',
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enum: ["MDLBG_FRAGMENT_STEREO"],
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default: "MDLBG_FRAGMENT_STEREO"
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},
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fieldValue: {
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title: "Field value",
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type: 'array',
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items: {
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enum: [
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"abs",
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"(+)-enantiomer",
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"(-)-enantiomer",
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"racemate",
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"steric",
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"rel",
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"R(a)",
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"S(a)",
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"R(p)",
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"S(p)"
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]
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},
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default: ["abs"]
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},
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radiobuttons: radioButtonsSchema
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},
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required: ["fieldName", "fieldValue", "radiobuttons"]
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},
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{
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key: 'FRG_COEFF',
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title: 'MDLBG_FRAGMENT_COEFFICIENT',
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properties: {
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type: { enum: ["DAT"] },
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fieldName: {
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title: "Field name",
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enum: ["MDLBG_FRAGMENT_COEFFICIENT"],
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default: "MDLBG_FRAGMENT_COEFFICIENT"
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},
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fieldValue: {
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title: "Field value",
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type: "string",
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default: "",
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minLength: 1,
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invalidMessage: "Please, specify field name"
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},
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radiobuttons: radioButtonsSchema
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},
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required: ["fieldName", "fieldValue", "radiobuttons"]
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},
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{
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key: 'FRG_CHRG',
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title: 'MDLBG_FRAGMENT_CHARGE',
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properties: {
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type: { enum: ["DAT"] },
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fieldName: {
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title: 'Field name',
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enum: ["MDLBG_FRAGMENT_CHARGE"],
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default: "MDLBG_FRAGMENT_CHARGE"
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},
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fieldValue: {
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title: "Field value",
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type: "string",
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default: "",
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minLength: 1,
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invalidMessage: "Please, specify field name"
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},
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radiobuttons: radioButtonsSchema
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},
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required: ["fieldName", "fieldValue", "radiobuttons"]
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},
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{
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key: 'FRG_RAD',
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title: 'MDLBG_FRAGMENT_RADICALS',
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properties: {
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type: { enum: ["DAT"] },
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fieldName: {
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title: "Field name",
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enum: ["MDLBG_FRAGMENT_RADICALS"],
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default: "MDLBG_FRAGMENT_RADICALS"
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},
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fieldValue: {
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title: "Field value",
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type: "string",
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default: "",
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minLength: 1,
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invalidMessage: "Please, specify field name"
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},
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radiobuttons: radioButtonsSchema
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},
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required: ["fieldName", "fieldValue", "radiobuttons"]
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},
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]
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},
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Multifragment: {
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title: 'Multifragment',
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type: 'Object',
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oneOf: [
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{
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key: 'MLT_FRG',
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title: 'KETCHER_MULTIPLE_FRAGMENT',
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properties: {
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type: { enum: ["DAT"] },
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fieldName: {
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title: 'Field name',
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enum: ["KETCHER_MULTIPLE_FRAGMENT"],
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default: "KETCHER_MULTIPLE_FRAGMENT"
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},
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fieldValue: {
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title: "Field value",
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type: 'array',
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items: {
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enum: [
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"aerosol",
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"alloy",
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"catenane",
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"complex",
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"composite",
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"co-polymer",
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"emulsion",
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"host-guest complex",
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"mixture",
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"rotaxane",
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"suspension"
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]
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},
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default: ["aerosol"]
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},
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radiobuttons: radioButtonsSchema
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},
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required: ["fieldName", "fieldValue", "radiobuttons"]
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}
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]
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},
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Bond: {
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title: 'Bond',
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type: 'Object',
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oneOf: [
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{
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key: 'SB_STR',
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title: 'MDLBG_STEREO_KEY',
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properties: {
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type: { enum: ["DAT"] },
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fieldName: {
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title: "Field name",
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enum: ["MDLBG_STEREO_KEY"],
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default: "MDLBG_STEREO_KEY"
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},
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fieldValue: {
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title: "Field value",
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type: 'array',
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items: {
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enum: [
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"erythro",
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"threo",
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"alpha",
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"beta",
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"endo",
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"exo",
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"anti",
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"syn",
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"ECL",
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"STG"
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]
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},
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default: ["erythro"]
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},
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radiobuttons: radioButtonsSchema
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},
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required: ["fieldName", "fieldValue", "radiobuttons"]
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},
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{
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key: 'SB_BND',
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title: 'MDLBG_BOND_KEY',
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properties: {
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type: { enum: ["DAT"] },
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fieldName: {
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title: "Field name",
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enum: ["MDLBG_BOND_KEY"],
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default: "MDLBG_BOND_KEY"
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},
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fieldValue: {
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title: "Field value",
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type: 'array',
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items: {
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enum: [
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"Value=4"
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]
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},
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default: ["Value=4"]
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},
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radiobuttons: radioButtonsSchema
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},
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required: ["fieldName", "fieldValue", "radiobuttons"]
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}
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]
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},
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Atom: {
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title: 'Atom',
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type: 'Object',
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oneOf: [
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{
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key: 'AT_STR',
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title: 'MDLBG_STEREO_KEY',
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properties: {
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type: { enum: ["DAT"] },
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fieldName: {
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title: "Field name",
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enum: ["MDLBG_STEREO_KEY"],
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default: "MDLBG_STEREO_KEY"
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},
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fieldValue: {
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title: "Field value",
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type: 'array',
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items: {
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enum: [
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"RS",
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"SR",
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"P-3",
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"P-3-PI",
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"SP-4",
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"SP-4-PI",
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"T-4",
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"T-4-PI",
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"SP-5",
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"SP-5-PI",
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"TB-5",
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"TB-5-PI",
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"OC-6",
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"TP-6",
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"PB-7",
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"CU-8",
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"SA-8",
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"DD-8",
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"HB-9",
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"TPS-9"
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],
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},
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default: ["RS"]
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},
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radiobuttons: radioButtonsSchema
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},
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required: ["fieldName", "fieldValue", "radiobuttons"]
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}
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]
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},
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Group: {
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title: 'Group',
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type: 'Object',
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oneOf: [
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{
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key: 'GRP_STR',
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title: 'MDLBG_STEREO_KEY',
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properties: {
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type: { enum: ["DAT"] },
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fieldName: {
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title: "Field name",
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enum: ["MDLBG_STEREO_KEY"],
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default: "MDLBG_STEREO_KEY"
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},
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fieldValue: {
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title: "Field value",
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type: 'array',
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items: {
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enum: [
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"cis",
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"trans"
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]
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},
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default: ["cis"]
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},
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radiobuttons: radioButtonsSchema
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},
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required: ["fieldName", "fieldValue", "radiobuttons"]
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}
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]
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}
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};
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export const sdataCustomSchema = {
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key: 'Custom',
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properties: {
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type: { enum: ["DAT"] },
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context: {
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title: 'Context',
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enum: [
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'Fragment',
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'Multifragment',
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'Bond',
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'Atom',
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'Group'
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],
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default: 'Fragment'
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},
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fieldName: {
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title: 'Field name',
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type: "string",
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default: "",
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minLength: 1,
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invalidMessage: "Please, specify field name"
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},
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fieldValue: {
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title: 'Field value',
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type: "string",
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default: "",
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minLength: 1,
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invalidMessage: "Please, specify field value"
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},
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radiobuttons: {
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enum: [
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"Absolute",
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"Relative",
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"Attached"
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],
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default: "Absolute"
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}
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},
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required: ["context", "fieldName", "fieldValue", "radiobuttons"]
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};
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export const sdataSchema = Object.keys(sData).reduce((acc, title) => {
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acc[title] = mapOf(sData[title], 'fieldName');
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Object.keys(acc[title]).forEach(fieldName => acc[title][fieldName].properties.context = contextSchema);
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return acc;
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}, {});
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/**
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* Returns first key of passed object
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* @param obj { object }
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*/
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function firstKeyOf(obj) {
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return Object.keys(obj)[0];
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}
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/**
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* Returns schema default values. Depends on passed arguments:
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* pass schema only -> returns default context
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* pass schema & context -> returns default fieldName
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* pass schema & context & fieldName -> returns default fieldValue
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* @param context? { string }
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* @param fieldName? { string }
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* @returns { string }
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*/
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export function getSdataDefault(context, fieldName) {
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if (!context && !fieldName)
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return firstKeyOf(sdataSchema);
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if (!fieldName)
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return firstKeyOf(sdataSchema[context]);
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return sdataSchema[context][fieldName] ?
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sdataSchema[context][fieldName].properties.fieldValue.default :
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'';
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}
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