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Open Source Chemistry Library
/*
* 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.
*
*/
package com.actelion.research.chem;
import java.util.ArrayList;
public class SSSearcherWithIndex {
public static final String cIndexVersion = "1.2.1";
public static final String[] cKeyIDCode = {
"QM@HzAmdqjF@",
"RF@Q``",
"qC`@ISTAlQE`",
"`J@H",
"QM@HzAmdqbF@",
"qC`@ISTAlQEhqPp@",
"sJP@DiZhAmQEb",
"RF@QPvR@",
"QM@HzA@",
"qC`@ISTAlQEhpPp@",
"qC`@Qz`MbHl",
"sJP@DiZhAmQEcFZF@",
"RFPDXH",
"qC`@IVtAlQE`",
"QM@HvAmdqfF@",
"sGP@DiVj`FsDVM@",
"`L@H",
"sJP@DizhAmQEcFBF@",
"sJP@DjvhAmQEb",
"sFp@DiTt@@AlqEcP",
"sGP@LdbMU@MfHlZ",
"QMHAIhD",
"QM@HzAy@",
"sJP@DkVhAmQEb",
"sNp@DiUjj@[\\QXu`",
"sJP@DiZhAmQEcFBF@",
"sGP@DjVj`FsDVM@",
"RFPDTH",
"RG@DXOH@",
"sGP@Divj`FsDVMcAC@",
"sGP@Dj}j`FsDVM@",
"qC`@Qz`MbHmFRF@",
"sNp@LdbJjj@[\\QXu`",
"QMHAIhGe@",
"QM@HzAyd`",
"QM`AIhD",
"qC`@ISTA@",
"sGP@DkUj`FsDVM@",
"qC`@IVtAlQEhqPp@",
"sNp@DiUjj@[\\QXuqea`@",
"KAx@@IRjuUPAlHPfES\\",
"QM`BN`P",
"sJP@DjZhAmQEcFJF@",
"Hid@@DjU^nBBH@FtaBXUMp`",
"sNp@Diujj@[\\QXuq`a`@",
"sJP@DjvhAmQEcFZF@",
"sJP@DjZhAmQEcFFF@",
"sOp@DjWkB@@FwDVM\\YhX@",
"sNp@Dj}Zj@[\\QXu`",
"sNp@DiWjj@[\\QXuq`a`@",
"sOp@DjWkB@@D",
"KAx@@ITouUPAlHPfES\\",
"KAx@@YIDTjjh@vDHSBin@",
"sNp@DkUZj@[\\QXu`",
"RFPDXOH@",
"QM`BN`^L`",
"qC`@ISTAy@",
"sGP@LdbMU@MfHl[FVF@",
"qCb@AIZ`H",
"KAx@@IRjuUPAlHPfES]FFa`@",
"KAx@@ITnuUPAlHPfES\\",
"HiD@@DiUVjj`AmHPfES\\H",
"sNp@DjUjj@[\\QXu`",
"sJP@DkVhAmQEcFJF@",
"sGP@DjVj`FsDVMcCC@",
"qC`@Qz`MbHmFBF@",
"sJP@DkfhAmQEb",
"qC`@IVtAlQEhsPp@",
"sGP@Djuj`FsDVM@",
"sGP@Dj}j`FsDVMcMC@",
"sJP@DiZhA@",
"KAx@@ISjuUPAlHPfES]F@a`@",
"sJP@DjZhAmQEcFRF@",
"KAx@@IRnuUPAlHPfES]F@a`@",
"HiD@@DjWvjj`AmHPfES\\H",
"QMHAIhGd@",
"sNp@DiUjj@[\\QXuq`a`@",
"KAx@@IVjmUPAlHPfES\\",
"sGP@DjVj`FsDVMcMC@",
"QM`AIhGe@",
"HiD@@LdbJRjjh@[RDIaTwB",
"qCp@AIZ`H",
"sGP@LdbMU@MfHl[FFF@",
"QMDARVA@",
"sNp@LdbJjj@[\\QXuqba`@",
"sNp@LdbJjj@[\\QXuqca`@",
"sGP@Dkej`FsDVM@",
"qCb@AIZ`OI@",
"HaD@@DjUZxHH@AlHPfES]FLa`@",
"sGP@DkYj`FsDVM@",
"qCb@AIV`H",
"sNp@LdbJjj@[\\QXuqea`@",
"sGP@DkUj`FsDVMcEC@",
"sFp@DiTt@@Axa@",
"Hmt@@DjU_ZxHHj@AmhPfES\\Lj",
"QM`BN`^P",
"qCb@AIZ`OH`",
"sFp@DiTt@@AxaP",
"sGP@Djuj`FsDVMcEC@",
"sGP@Djuj`FsDVMcIC@",
"sGP@DkUj`FsDVMcKC@",
"sJP@DkfhAmQEcFRF@",
"sGP@DjVj`FsDVMcIC@",
"HaD@@DjUZxHH@AlHPfES]FFa`@",
"qC`@IRtDVqDV@",
"sNp@Dj}Zj@[\\QXuqfa`@",
"KAx@@ITnuUPAlHPfES]FFa`@",
"HiD@@DkUUjj`AmHPfES\\H",
"sJQ@@dkU@H",
"qC`@Qz`H",
"KAx@@IUkmUPAlHPfES\\",
"KAx@@ITouUPAlHPfES]FJa`@",
"sJP@H~j@[TQX`",
"sGP@DjZj`FsDVM@",
"sJP@DkVhAmQEcFFF@",
"sJX@@eKU@H",
"sJP@DizhAy@",
"QMHAIhGbP",
"KAx@@ITouUPAlHPfES]FNa`@",
"HaD@@DjUZxHD@AlHPfES\\",
"HaD@@DjUZxHH@A@",
"sNp@LdbJjj@[\\QXuqaa`@",
"Hed@@LdbRQUUUP@vTHSBinFP",
"KAx@@ITouUPAlHPfES]FLa`@",
"sNp@DkUZj@[\\QXuqba`@",
"KAx@@ITjuUPAlHPfES]FNa`@",
"KAx@@YIDTjjh@vDHSBincGPp@",
"HaD@@DjYvxH`@AlHPfES]FLa`@",
"RF@QP`",
"qCb@AIj`H",
"sNp@DjUjj@[\\QXuqaa`@",
"sNp@DkVZj@[\\QXu`",
"KAx@@YIDUJjh@vDHSBin@",
"sGP@DkYj`FsDVMcIC@",
"sGP@DjVj`FsDVMcAC@",
"sGP@DiVj`D",
"sJP@DkVhAmQEcFZF@",
"sNp@LdbLjj@[\\QXu`",
"QM@HvAmdqbF@",
"HaD@@DjWjXHB@AlHPfES\\",
"sNp@DjwZj@[\\QXuqba`@",
"sNp@LdbJjj@[\\QXuqda`@",
"sFp@DiTt@@Axa`",
"HiD@@Djuujj`AmHPfES\\H",
"sNp@DkUZj@[\\QXuqca`@",
"sJP@DiZhAy@",
"KAx@@YIDTjjh@vDHSBincCPp@",
"KAx@@IWNmUPAlHPfES\\",
"KAx@@IVkMUPAlHPfES\\",
"sJQ@@dju@H",
"qCb@AIZ`OH@",
"qC`@ISTAxa@",
"sNp@DjyZj@[\\QXu`",
"Hid@@DjUfaBB`@FtaBXUMp`",
"HiD@@DiUVjj`AmHPfES\\LXBF@",
"KAx@@IUjmUPAlHPfES\\",
"HiD@@DjWvjj`AmHPfES\\LXjF@",
"sJP@DjVhAmQEb",
"qCb@AIV`OH`",
"HiD@@LdbJRjjh@[RDIaTwCFDa`@",
"KAx@@YIDTjjh@vDHSBinc@Pp@",
"sNp@DjUjj@[\\QXuqda`@",
"qC`@Qz`OED",
"sJP@DkfhAmQEcFZF@",
"KAx@@YIDbjjh@vDHSBincDPp@",
"sGP@Djyj`FsDVMcMC@",
"KAx@@IVrmUPAlHPfES\\",
"qCp@AIZ`OI@",
"sJX@@dkU@H",
"sJQ@@dkU@OH`",
"sNp@Di]ZjBBvxbqk@",
"Hkl@@DjU_Uk``bj`@[VDIaTwCJzX",
"sGP@DjZj`FsDVMcEC@",
"Hid@@DjU^nBBH@FtaBXUMpqcHX@",
"sNp@DkeZj@[\\QXu`",
"sNp@DjYjj@[\\QXuqca`@",
"sGQ@@djuT@`",
"HiD@@LdbJTjjh@[RDIaTwB",
"sOp@DjWkB@@Gd`",
"HeT@@LdbbRKBDQD@CYPaLJfxY@",
"qCr@XIKTA@",
"HiD@@DjW^jj`AmHPfES\\LXJF@",
"HeT@@DjU]k``b`@[JDIaTwCH",
"sGP@Djuj`FsDVMcCC@",
"`IH`B",
"sOp@DjWkB@@GdX",
"sJQ@@eKU@H",
"KAx@@YIDUJjh@vDHSBincBPp@",
"sJX@@eKU@OH@",
"KAx@@YIDTjjh@vDHSBincAPp@",
"sOq@@drm\\@@@`",
"KAx@@IUkMUPAlHPfES\\",
"qCp@AIj`H",
"Hed@@DjUUjjj@FraBXUMpr",
"sGX@@eJuT@`",
"sGP@DkUj`FsDVMcCC@",
"HiD@@Dj}Ujj`AmHPfES\\LXrF@",
"KAx@@ITouUPAlHPfES]FHa`@",
"Hed@@DjWujjj@FraBXUMpsFIa`@",
"sGP@DiUj``mfHlZ",
"sFp@DiTvjhAlqEcP",
"Hid@@DjU^nBBH@FtaBXUMpq`XX@",
"sJP@DkVdAmQEb",
"qCp@AIZ`OH`",
"QMhDRVA@",
"qC`@ISJAlQE`",
"qCp@BOTAyhl",
"sJX@@eOU@ODB",
"sFp@DiTt@@AyaB",
"sGP@DkUj`FsDVMcMC@",
"Hid@@DjYUaBH`@FtaBXUMpqcHX@",
"qC`@Qz`OH@",
"HiD@@DjUVjj`AmHPfES\\LXZF@",
"sJP@H~j@[TQXqda`@",
"sJX@@eKU@OI@",
"sNp@Djejj@[\\QXu`",
"sJQ@@dsU@H",
"sJQ@@dkU@OI`",
"KAx@@YIMDVjh@vDHSBin@",
"Hid@@DjU^nBBD@FtaBXUMp`",
"sNp@DkgZj@[\\QXuqca`@",
"qC`@IRtDVqDVcEC@",
"Hed@@LdbRQeUUP@vTHSBinFP",
"sNp@DiUjj@P",
"qC`@IRtDT",
"sNp@DkYZj@[\\QXuqca`@",
"KAx@@IUkmUPAlHPfES]FDa`@",
"KAx@@IVjmUPAlHPfES]FNa`@",
"sOx@@drm\\@@@`",
"KAx@@ITjuUPAlHPfES]FBa`@",
"QMDARVAyH",
"sJP`@dfvhA@",
"HeT@@DjU_k``b`@[JDIaTwCLXfF@",
"KAx@@IToUUPAlHPfES]FJa`@",
"sGP@DkYj`FsDVMcEC@",
"qCb@AIZ`ODH",
"`I@`B",
"KAx@@IUzmUPAlHPfES]FFa`@",
"sNp@DkfZj@[\\QXu`",
"KAx@@ITnuUPAlHPfES]F@a`@",
"HiD@@LddURjjh@[RDIaTwB",
"sNp@Dj~Zj@[\\QXuqfa`@",
"Hed@@Dj{uZjj@FraBXUMpr",
"KAx@@ITsUUPAlHPfES\\",
"Hid@@LdbRQk``b@AmHPfES\\LXrF@",
"sOp@DjWkB@@GdH",
"sJQ@@dkU@OH@",
"Hid@@DjU^nBBH@FtaBXUMpqahX@",
"sGP@DiYj``mfHlZ",
"KAx@@IToUUPAlHPfES]FLa`@",
"qCp@AJZ`ODH",
"Hmt@@DjU]ZxHHj@AmhPfES\\Lj",
"sGP@DkUjPFsDVM@",
"qC`@IVtA@",
"Hed@@LdbJReUUP@vTHSBinFP",
"sNp@DjuZj@[\\QXuqea`@",
"KAx@@IUkmUPAlHPfES]FNa`@",
"HiD@@DkVUjj`AmHPfES\\H",
"Hed@@DkUeZjj@FraBXUMpr",
"sNp@DkVZj@[\\QXuqea`@",
"sJP@DiVhHKZbKFLLL@",
"HiD@@Djuyjj`AmHPfES\\H",
"sNp@DjUjj@[\\QXuq`a`@",
"HeT@@DjYUXPbH`@[JDIaTwCH",
"HiD@@DjwUjj`AmHPfES\\LXRF@",
"sNq@@djmUPB",
"KAx@@YIEEZjh@vDHSBincCPp@",
"sGP@Di^V`dmfHlZ",
"Hid@@DjYUaBHP@FtaBXUMp`",
"sNp@DjYjj@[\\QXuqba`@",
"sGP@Dkej`FsDVMcKC@",
"HeT@@DjU^k``b`@[JDIaTwCH",
"qC`@Qv`MbHmFBF@",
"sGQ@@djmT@`",
"qCr@XIKTAyH",
"qC`@IVtAlQEhpPp@",
"Hid@@LdbbQxXF@@AmHPfES\\LXjF@",
"sGP@DkYj`FsDVMcCC@",
"KAx@@IVsMUPAlHPfES\\",
"qCp@AIj`ODl",
"HiD@@DkeUjj`AmHPfES\\H",
"HeT@@DjU[kjjjh@ZLDXSSYPaLJfxY@",
"sJP@DkVdAmQEcFRF@",
"HiD@@LdbJTjjh@[RDIaTwCFDa`@",
"HiD@@DkYyjj`AmHPfES\\H",
"sJP@DjZhAyH",
"KAx@@IVkMUPAlHPfES]FDa`@",
"sJX@@dkU@OI@",
"Hed@@LdbRQUUUP@vTHSBinFXpLL@",
"Hed@@DjuUZjj@FraBXUMpr",
"sGP@Djfj`FsDVMcKC@",
"sNp@DkVZj@[\\QXuqba`@",
"sNp@DjyZj@[\\QXuqfa`@",
"qCb@AIj`OH@",
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"KAx@@IWOMUPAlHPfES\\",
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"sJP@DkfhAmQEcFJF@",
"sNp@LdbJZj@[\\QXu`",
"HeT@@DjU_k``b`@[JDIaTwCLXFF@",
"KAx@@IVlmUPAlHPfES]FNa`@",
"HeT@@LdbbRKBDQD@CYPaLJfxYcEPp@",
"Hid@@DjUZnBBH@FtaBXUMpqcHX@",
"qCa@CIKTA@",
"HiD@@Dj~]jj`AmHPfES\\LXFF@",
"sKP@Di\\Zj@[TQX`",
"sGP@Djfj`FsDVMcEC@",
"HiD@@DkgYjj`AmHPfES\\H",
"sNp@DjuZj@[\\QXuqaa`@",
"KAx@@YIMDVjh@vDHSBincDPp@",
"sJP@DjVhHKZbKFLTL@",
"Hid@@LdbRQk``b@AmHPfES\\LXZF@",
"HiD@@Dj}Ujj`AmHPfES\\LXzF@",
"HeT@@DjU_k``bP@[JDIaTwCH",
"sNp@DkUZi@[\\QXu`",
"HiD@@DjYfjj`AmHPfES\\H",
"sGP@DjZj`FsDVMcAC@",
"Hmt@@DjU_jxHHj@AmhPfES\\Lj",
"Hid@@LdbRQk``R@AmHPfES\\H",
"KAx@@YIDUJjh@vDHSBincDPp@",
"qCr@XIKTAyD",
"sOq@@drm\\@@@|`@",
"Hed@@DjW^jjj@FraBXUMpsFBa`@",
"HeT@@DjY]zXFB@@[JDIaTwCH",
"Hkl@@DjU_Vk``bj`@[VDIaTwCJzX",
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"HcL@@DjU_ZnBBJh@FqaBXUMprn`",
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"RG@DTH",
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"Hmt@@DjU_ZxHHi@AmhPfES\\Lj",
"HaDH@@RYWih@H@D",
"HiD@@LdbJTjjh@[RDIaTwCFHa`@",
"sGX@@djuT@|a@",
"sNp@DkfZj@[\\QXuqaa`@",
"Hid@@DjU^nBBH@GdL",
"KAx@@IVkMUPAlHPfES]FJa`@",
"qCr@XIKTAy@",
"HmT@@Dj{uVjjh@[ZDIaTwCJqaXX@",
"Hmt@@DjYWVFjjj`AhpQe\\mmBDpj[aeP",
"Hif@@@RUe^Fh@@@P",
"HaDH@@Rfu[j@@@GdH",
"KAx@@IVsMUPAlHPfES]FDa`@",
"sKP@Di\\Zj@[TQXq`a`@",
"sJX@@eMU@OH@",
"HeT@@DjU^k``b`@[JDIaTwCLXFF@",
"Hmt@@LdbbRJXPbHh@FvaBXUMprh",
"sJP@DjvhAmQEcFBF@",
"Hmt@@LdbbRNXZjjj@FcAFUrvtHSBinFUcBpp@",
"sJP`@dfvhAyD",
"sGP@Di^V`dmfHl[FVF@",
"KAx@@IVsmUPAlHPfES]FBa`@",
"sOq@@drm\\@@@|PP",
"sJY@BDeZhA@",
"HeT@@LdbRbmBDED@CYPaLJfxY@",
"Hed@@Djy[Zjj@FraBXUMpr",
"HeT@@DjU]k``b`@[JDIaTwCLXFF@",
"Hid@@DjUfaBB`@D",
"qCa@CIJtA@",
"QMPARVA@",
"Hid@@DjUfaBB`@FtaBXUMpqcHX@",
"sJY@BDfZhA@",
"HeT@@DjUghP`hP@[JDIaTwCH",
"Hed@@Dj{uZjj@FraBXUMpsFIa`@",
"Hmt@@LdbbRUXZjjj@FcAFUrvtHSBinFUcFPp@",
"sNp`@dfuZj@P",
"sJQ@@dmU@OH@",
"sJX@@dmU@H",
"HeT@@DjU]k``b`@[JDIaTwCLXZF@",
"HiD@@LdfbJZjh@[RDIaTwCFAa`@",
"sOx@@drm\\@@@|a@",
"HeT@@LdbbQgCUUU@CQhRfz[JDIaTwCH",
"Hmt@@DjU]Zzjjj`AhpQaLmmBDpj[aeXplL@",
"sOp@DjWkjj`FwDVM\\XHX@",
"HcL@@LdbbRNSBDQEP@McBDpj[ae]cFpp@",
"HiD@@Dj}Yji`AmHPfES\\H",
"HaDH@@RYe[hB@@D",
"Hid@@DjU^njjj@FtaBXUMpq`XX@",
"HeT@@DkYeFVjjh@ZMaUpsYPaLJfxY@",
"QMPARZA@",
"sOq@@drm\\@@@|QX",
"HaD@@DjYvxH`@A@",
"HcL@@LdbbRNcBDQEP@McBDpj[ae]@",
"QMhDRZA@",
"RG@DXLHmP",
"QM`BN`XQYd",
"RG@DTLHmP",
"QMHAIXFEVd",
"QMDARVAaH",
"RFPDXLHmP",
"RF@Q`vRbdLEC@",
"RF@QpvR@",
"QO@HyjAmd`",
"`II@B",
"`II@CFspqJp",
"`II@CF[@hM@prB`",
"`H@[T[|B`XN@PdM@p|@bHrBcDk@",
"RG@DXMj}F@",
"QM`BN`[L~b@",
"RG@DTMj}D@",
"QMHAIXFt~j@",
"QMDARVA}L@",
"RFPDXMj}D@",
"sKP@Di\\YZ@[TQXqaa`@",
"RG@DXMH" };
private static StereoMolecule[] sKeyFragment;
private SSSearcher mSSSearcher;
private StereoMolecule mMolecule,mFragment;
private int[] mMoleculeIndex,mFragmentIndex;
private byte[] mMoleculeIDCode,mFragmentIDCode;
public static int getNoOfKeys() {
return cKeyIDCode.length;
}
public SSSearcherWithIndex() {
mSSSearcher = new SSSearcher();
init();
}
public SSSearcherWithIndex(int matchMode) {
mSSSearcher = new SSSearcher(matchMode);
init();
}
public StereoMolecule getKeyFragment(int no) {
return sKeyFragment[no];
}
public void setFragment(StereoMolecule fragment, int[] index) {
mFragmentIDCode = null;
mFragment = fragment;
if (index == null)
mFragmentIndex = createIndex(fragment);
else
mFragmentIndex = index;
}
public void setFragment(String idcode, int[] index) {
setFragment(idcode.getBytes(), index);
}
public void setFragment(byte[] idcode, int[] index) {
mFragmentIDCode = idcode;
if (index == null) {
mFragment = (new IDCodeParser(false)).getCompactMolecule(idcode);
mFragmentIndex = createIndex(mFragment);
}
else {
mFragment = null;
mFragmentIndex = index;
}
}
public void setMolecule(StereoMolecule molecule, int[] index) {
mMoleculeIDCode = null;
mMolecule = molecule;
if (index == null)
mMoleculeIndex = createIndex(molecule);
else
mMoleculeIndex = index;
}
public void setMolecule(String idcode, int[] index) {
setMolecule(idcode.getBytes(), index);
}
public void setMolecule(byte[] idcode, int[] index) {
mMoleculeIDCode = idcode;
if (index == null) {
mMolecule = (new IDCodeParser(false)).getCompactMolecule(idcode);
mMoleculeIndex = createIndex(mMolecule);
}
else {
mMolecule = null;
mMoleculeIndex = index;
}
}
public int getFirstHittingIndexBlockNo() {
for (int i=0; i
* Note: If some query fragment atoms are marked as exclude group, then the respective
* matchlist values are -1.
* @return list of distinct counted matches.
*/
public ArrayList getMatchList() {
return mSSSearcher.getMatchList();
}
public int[] createIndex(StereoMolecule mol) {
if (mol == null)
return null;
int[] index = new int[(cKeyIDCode.length+31)/32];
mol = removeExcludeGroups(mol);
mSSSearcher.setMolecule(mol);
for (int i=0; i 16)
code -= 7;
index[j] <<= 4;
index[j] += code;
}
return index;
}
public static int[] getIndexFromHexString(byte[] bytes) {
if (bytes==null || bytes.length==0 || (bytes.length & 7) != 0)
return null;
int[] index = new int[bytes.length/8];
for (int i=0; i 16)
code -= 7;
index[j] <<= 4;
index[j] += code;
}
return index;
}
public static String getHexStringFromIndex(int[] index) {
if (index == null)
return null;
byte[] bytes = new byte[index.length*8];
for (int i=0; i=0; j--) {
int code = value & 15;
if (code > 9)
code += 7;
bytes[i*8+j] = (byte)('0'+code);
value >>= 4;
}
}
return new String(bytes);
}
public static int bitCount(int x) {
int temp;
temp = 0x55555555;
x = (x & temp) + (x >>> 1 & temp);
temp = 0x33333333;
x = (x & temp) + (x >>> 2 & temp);
temp = 0x07070707;
x = (x & temp) + (x >>> 4 & temp);
temp = 0x000F000F;
x = (x & temp) + (x >>> 8 & temp);
return (x & 0x1F) + (x >>> 16);
}
private void init() {
synchronized(SSSearcherWithIndex.class) {
if (sKeyFragment == null) {
IDCodeParser theParser = new IDCodeParser(false);
sKeyFragment = new StereoMolecule[cKeyIDCode.length];
for (int i=0; i © 2015 - 2025 Weber Informatics LLC | Privacy Policy