/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolEnumerator/ |
H A D | MolEnumerator.cpp | 21 size_t maxToEnumerate, bool doRandom) { in getVariations() argument 30 maxToEnumerate, doRandom); in getVariations() 38 if (params.doRandom) { in enumerateVariations() 44 params.doRandom); in enumerateVariations()
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H A D | MolEnumerator.h | 162 bool doRandom = false; //< not yet implemented member
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/SmilesParse/ |
H A D | SmilesWrite.cpp | 296 bool doRandom, std::vector<unsigned int> &atomOrdering, in FragmentSmilesConstruct() argument 332 doRandom); in FragmentSmilesConstruct() 421 bool allHsExplicit, bool doRandom) { in MolToSmiles() argument 466 if (doRandom && rootedAtAtom == -1) { in MolToSmiles() 519 doIsomericSmiles, allBondsExplicit, allHsExplicit, doRandom, in MolToSmiles() 574 bool doRandom) { in MolToCXSmiles() argument 576 canonical, allBondsExplicit, allHsExplicit, doRandom); in MolToCXSmiles() 598 bool doRandom = true; in MolToRandomSmilesVect() local 601 doRandom)); in MolToRandomSmilesVect() 758 bool doRandom = false; in MolFragmentToSmiles() local [all …]
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H A D | SmilesWrite.h | 80 bool allHsExplicit = false, bool doRandom = false); 151 bool allHsExplicit = false, bool doRandom = false);
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ |
H A D | Canon.cpp | 579 const std::vector<std::string> *bondSymbols, bool doRandom) { in dfsFindCycles() argument 624 if (!doRandom) { in dfsFindCycles() 685 doRandom); in dfsFindCycles() 711 const std::vector<std::string> *bondSymbols, bool doRandom) { in dfsBuildStack() argument 810 if (!doRandom) { in dfsBuildStack() 871 bondSymbols, doRandom); in dfsBuildStack() 891 bool doRandom) { in canonicalDFSTraversal() argument 909 atomRingClosures, bondsInPlay, bondSymbols, doRandom); in canonicalDFSTraversal() 912 atomTraversalBondOrder, bondsInPlay, bondSymbols, doRandom); in canonicalDFSTraversal() 1045 bool doIsomericSmiles, bool doRandom) { in canonicalizeFragment() argument [all …]
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H A D | Canon.h | 119 bool doIsomericSmiles = false, bool doRandom = false);
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/dports/math/latte-integrale/latte-version_1_7_6/code/latte/buildPolytopes/ |
H A D | Driver.cpp | 25 void doRandom() in doRandom() function 185 doRandom(); //call polymake on random points in main()
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolEnumerator/Wrap/ |
H A D | rdMolEnumerator.cpp | 70 .def_readwrite("doRandom", &MolEnumerator::MolEnumeratorParams::doRandom, in BOOST_PYTHON_MODULE()
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/dports/devel/hadoop2/hadoop-2.7.2-src/hadoop-hdfs-project/hadoop-hdfs/src/main/java/org/apache/hadoop/hdfs/server/common/ |
H A D | JspHelper.java | 139 private static DatanodeInfo bestNode(DatanodeInfo[] nodes, boolean doRandom) in bestNode() argument 153 int index = doRandom ? DFSUtil.getRandom().nextInt(l) : 0; in bestNode()
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/dports/textproc/py-pygments/Pygments-2.7.2/tests/examplefiles/ |
H A D | Intro.java | 991 private boolean doRandom; field in Intro.Surface.CoE 1000 doRandom = (type & RAND) != 0; in CoE() 1005 if (doRandom) { in reset()
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/dports/textproc/py-pygments-25/Pygments-2.5.2/tests/examplefiles/ |
H A D | Intro.java | 991 private boolean doRandom; field in Intro.Surface.CoE 1000 doRandom = (type & RAND) != 0; in CoE() 1005 if (doRandom) { in reset()
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/dports/java/openjdk11/jdk11u-jdk-11.0.13-8-1/src/demo/share/jfc/J2Ddemo/java2d/ |
H A D | Intro.java | 1080 private boolean doRandom; field in Intro.Surface.CoE 1089 doRandom = (type & RAND) != 0; in CoE() 1094 if (doRandom) { in reset()
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/dports/java/openjdk11-jre/jdk11u-jdk-11.0.13-8-1/src/demo/share/jfc/J2Ddemo/java2d/ |
H A D | Intro.java | 1080 private boolean doRandom; field in Intro.Surface.CoE 1089 doRandom = (type & RAND) != 0; in CoE() 1094 if (doRandom) { in reset()
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/dports/java/openjdk13/jdk13u-jdk-13.0.10-1-1/src/demo/share/jfc/J2Ddemo/java2d/ |
H A D | Intro.java | 1080 private boolean doRandom; field in Intro.Surface.CoE 1089 doRandom = (type & RAND) != 0; in CoE() 1094 if (doRandom) { in reset()
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/dports/java/openjdk16/jdk16u-jdk-16.0.2-7-1/src/demo/share/jfc/J2Ddemo/java2d/ |
H A D | Intro.java | 1080 private boolean doRandom; field in Intro.Surface.CoE 1089 doRandom = (type & RAND) != 0; in CoE() 1094 if (doRandom) { in reset()
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/dports/java/openjdk17/jdk17u-jdk-17.0.1-12-1/src/demo/share/jfc/J2Ddemo/java2d/ |
H A D | Intro.java | 1080 private boolean doRandom; field in Intro.Surface.CoE 1089 doRandom = (type & RAND) != 0; in CoE() 1094 if (doRandom) { in reset()
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/dports/java/openjdk12/openjdk-jdk12u-jdk-12.0.2-10-4/src/demo/share/jfc/J2Ddemo/java2d/ |
H A D | Intro.java | 1080 private boolean doRandom; field in Intro.Surface.CoE 1089 doRandom = (type & RAND) != 0; in CoE() 1094 if (doRandom) { in reset()
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/dports/java/openjdk15/jdk15u-jdk-15.0.6-1-1/src/demo/share/jfc/J2Ddemo/java2d/ |
H A D | Intro.java | 1080 private boolean doRandom; field in Intro.Surface.CoE 1089 doRandom = (type & RAND) != 0; in CoE() 1094 if (doRandom) { in reset()
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/dports/java/openjdk14/jdk14u-jdk-14.0.2-12-1/src/demo/share/jfc/J2Ddemo/java2d/ |
H A D | Intro.java | 1080 private boolean doRandom; field in Intro.Surface.CoE 1089 doRandom = (type & RAND) != 0; in CoE() 1094 if (doRandom) { in reset()
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/dports/editors/fpc-ide/fpc-3.2.2/rtl/os2/ |
H A D | doscalls.pas | 717 doRandom = 512; 735 OPEN_FLAGS_RANDOM =doRandom; { ---- -010 ---- ---- } 737 or doRandom; { ---- -011 ---- ---- }
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/dports/lang/fpc-utils/fpc-3.2.2/rtl/os2/ |
H A D | doscalls.pas | 717 doRandom = 512; 735 OPEN_FLAGS_RANDOM =doRandom; { ---- -010 ---- ---- } 737 or doRandom; { ---- -011 ---- ---- }
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/dports/lang/fpc-source/fpc-3.2.2/rtl/os2/ |
H A D | doscalls.pas | 717 doRandom = 512; 735 OPEN_FLAGS_RANDOM =doRandom; { ---- -010 ---- ---- } 737 or doRandom; { ---- -011 ---- ---- }
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/dports/lang/fpc/fpc-3.2.2/rtl/os2/ |
H A D | doscalls.pas | 717 doRandom = 512; 735 OPEN_FLAGS_RANDOM =doRandom; { ---- -010 ---- ---- } 737 or doRandom; { ---- -011 ---- ---- }
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/dports/science/rdkit/rdkit-Release_2021_03_5/Docs/Book/ |
H A D | Cookbook.rst | 1976 smis.append(Chem.MolToSmiles(mol,doRandom=True,canonical=False))
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/dports/science/rdkit/rdkit-Release_2021_03_5/ |
H A D | ReleaseNotes.md | 1203 - Add doRandom to the header docs
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