content: /*
   * Copyright (c) 1997 - 2016
   * Actelion Pharmaceuticals Ltd.
   * Gewerbestrasse 16
   * CH-4123 Allschwil, Switzerland
   *
   * All rights reserved.
   *
   * Redistribution and use in source and binary forms, with or without
   * modification, are permitted provided that the following conditions are met:
   *
   * 1. Redistributions of source code must retain the above copyright notice, this
   *    list of conditions and the following disclaimer.
   * 2. Redistributions in binary form must reproduce the above copyright notice,
   *    this list of conditions and the following disclaimer in the documentation
   *    and/or other materials provided with the distribution.
   * 3. Neither the name of the the copyright holder nor the
   *    names of its contributors may be used to endorse or promote products
   *    derived from this software without specific prior written permission.
   *
   * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
   * ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
   * WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
   * DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
   * ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
   * (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
   * LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
   * ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
   * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
   * SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
   *
   * @author Thomas Sander
   */
  
  package com.actelion.research.chem.coords;
  
  import com.actelion.research.chem.IDCodeParserWithoutCoordinateInvention;
  import com.actelion.research.chem.SSSearcherWithIndex;
  import com.actelion.research.chem.StereoMolecule;
  
  import java.util.ArrayList;
  
  public class InventorDefaultTemplateList extends ArrayList<InventorTemplate> {
  	// Simple annelated rings, bi- or tri-cyclo compounds are typically generated reasonably well
  	// by the CoordinateInventor without using templates. More complex highly bridged polycyclic
  	// compounds gain from provided templates, which usually are optimized 2D-projections from the
  	// 3-dimensional molecule.
  	private static final String[] DEFAULT_TEMPLATE = {
  			// fullerene
  			"gkvt@@@@LddTTTrbTRTRTRRRRRRRRRRRRRrVRrIh\\IAaQxlY@gRHdJCJcRXlv_CfJx|A\\hRHejiLaQjTje^kSjtFcIhvXmVKMjt{lN{Kavy\\^wGjjjjjjjjjjjjjjjjjjjjjjjjjjjjjjh@@vo@HBC@PhLN@bPhtFKCcpDbILaRhtzCIbsX\\nOO`JDbqDjSKdJeJmQjtz}Ahr[LVkMnpz\\nwGj{PBhBdBlBBBjBfBnBaBiBeBmBcBkBgBoB`bhbdblbbbjbfbnbabibebmbcbkbgbob`RhRdRlRbRjRfRnRaRiReRmRcRkRgRoR`rhrdrlrbrjrfrnrarirermrcrkrgror`JhJdJlJbJjJfJnJaJiJeJmJcJkJgJoJ`jhjdjljbjjjfjnjajijej` !BnkjyVwsVr|iQn|Q|goTZWPIJwbudnRkVYBez]siZymNJZUqNFBqZWxS~iCXVU]SeRjwrtSPAjkvXLpBAZauDPzq]PfMlecrMnkv|@\\SFD`m|mWiEoCXp`SIe_J[l|[XCbloTV`[Gc@FJGopyyoOlFQfUy^w\\Bgz|",
  			"gcrt@@@@LdbbbbTRbRbRbRRRRRRRRRRRRVRrVQIA`HtRGAaIxZAHfShTjCIbqylQGKgqdBaXeQJeruBiPitZmFoPZLFSYbvZlVGMnsZ]vWSmr{]UUUUUUUUUUUUUUUUUUUUUUUUUUUUUT@@[G`DAA`HTFG@QHTZCEaqxBQDfPiTZ]AdqYlNWGgpEBQXbUIerEReVhuZ]^`tYMfKUfwX]NW[jkPBhBdBlBbBjBfBnBaBiBeBmBcBkBgBoB`bhbdblbbbjbfbnbabibebmbcbkbgbob`RhRdRlRbRjRfRnRaRiReRmRcRkRgRoR`rhrdrlrbrjrfrnrarirermrcrkrgror`JhJdJlJbJjJfJnJaJiJeJmJcJkJgJoJ`jhjdjljbjjjfjnjajij` !B^cR]`]Fm]QkfljE\\p\u007FUVfgOmFXsQe_gXPyXis_wF|vUUX_XbxpzU]HUFgYViwFo~@uemc@}~T\u007FIEPioYVwr]JnM~[ZEC\\g}~o_pUfdo~irsklTLiyVJshnw^iVAsZ`_~}PYkckURH{FYMImFaRaccUlCZSHMfP",
  
  			// adamantane
  			"dml@@Dje^VGiyZjjjh@vtHSBinFU@ !BPTCTy[skMzUPF`AJbBixEZHS[Il",
  			"dml@@DjYVvGiyZjjjh@vtHSBinFU@ !BwLo~BJ~UquhXBinZ\\ykA@F_eMrT",
  			"dml@@LdfbbQX^fUZjjj`C[PaLJfxYT !BzxIHVc{OiJVRpprePho~]}y\u007FwLl",
  			"deL@@DjUYkfEijjjj@MeBDpj[ad !B\u007FaA\u007FMVr[AvkKzm_jKvVbD{sk",
  
  			// cubane
  			"dil@@LddTQRl[NX^Fjjjj@MiBDpj[a@ !BPfL@\u007Fox@M~T@\u007Fox@\u007F`C~@@",
  			"daL@@DjYtKJqjynjjjj@MaBDpj[` !B`bL@_gx@@Gy~@Gx@_`@",
  	};
  
  	public InventorDefaultTemplateList() {
  		SSSearcherWithIndex searcher = new SSSearcherWithIndex();
  		for (String idcode:DEFAULT_TEMPLATE) {
  			StereoMolecule fragment = new IDCodeParserWithoutCoordinateInvention().getCompactMolecule(idcode);
  			long[] ffp = searcher.createLongIndex(fragment);
  			InventorTemplate template = new InventorTemplate(fragment, ffp, false);
  			template.normalizeCoordinates();
  			add(template);
  			}
  		}
  	}
  