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Searched refs:doRandom (Results 1 – 25 of 25) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolEnumerator/
H A DMolEnumerator.cpp21 size_t maxToEnumerate, bool doRandom) { in getVariations() argument
30 maxToEnumerate, doRandom); in getVariations()
38 if (params.doRandom) { in enumerateVariations()
44 params.doRandom); in enumerateVariations()
H A DMolEnumerator.h162 bool doRandom = false; //< not yet implemented member
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/SmilesParse/
H A DSmilesWrite.cpp296 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 …]
H A DSmilesWrite.h80 bool allHsExplicit = false, bool doRandom = false);
151 bool allHsExplicit = false, bool doRandom = false);
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/
H A DCanon.cpp579 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 …]
H A DCanon.h119 bool doIsomericSmiles = false, bool doRandom = false);
/dports/math/latte-integrale/latte-version_1_7_6/code/latte/buildPolytopes/
H A DDriver.cpp25 void doRandom() in doRandom() function
185 doRandom(); //call polymake on random points in main()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolEnumerator/Wrap/
H A DrdMolEnumerator.cpp70 .def_readwrite("doRandom", &MolEnumerator::MolEnumeratorParams::doRandom, in BOOST_PYTHON_MODULE()
/dports/devel/hadoop2/hadoop-2.7.2-src/hadoop-hdfs-project/hadoop-hdfs/src/main/java/org/apache/hadoop/hdfs/server/common/
H A DJspHelper.java139 private static DatanodeInfo bestNode(DatanodeInfo[] nodes, boolean doRandom) in bestNode() argument
153 int index = doRandom ? DFSUtil.getRandom().nextInt(l) : 0; in bestNode()
/dports/textproc/py-pygments/Pygments-2.7.2/tests/examplefiles/
H A DIntro.java991 private boolean doRandom; field in Intro.Surface.CoE
1000 doRandom = (type & RAND) != 0; in CoE()
1005 if (doRandom) { in reset()
/dports/textproc/py-pygments-25/Pygments-2.5.2/tests/examplefiles/
H A DIntro.java991 private boolean doRandom; field in Intro.Surface.CoE
1000 doRandom = (type & RAND) != 0; in CoE()
1005 if (doRandom) { in reset()
/dports/java/openjdk11/jdk11u-jdk-11.0.13-8-1/src/demo/share/jfc/J2Ddemo/java2d/
H A DIntro.java1080 private boolean doRandom; field in Intro.Surface.CoE
1089 doRandom = (type & RAND) != 0; in CoE()
1094 if (doRandom) { in reset()
/dports/java/openjdk11-jre/jdk11u-jdk-11.0.13-8-1/src/demo/share/jfc/J2Ddemo/java2d/
H A DIntro.java1080 private boolean doRandom; field in Intro.Surface.CoE
1089 doRandom = (type & RAND) != 0; in CoE()
1094 if (doRandom) { in reset()
/dports/java/openjdk13/jdk13u-jdk-13.0.10-1-1/src/demo/share/jfc/J2Ddemo/java2d/
H A DIntro.java1080 private boolean doRandom; field in Intro.Surface.CoE
1089 doRandom = (type & RAND) != 0; in CoE()
1094 if (doRandom) { in reset()
/dports/java/openjdk16/jdk16u-jdk-16.0.2-7-1/src/demo/share/jfc/J2Ddemo/java2d/
H A DIntro.java1080 private boolean doRandom; field in Intro.Surface.CoE
1089 doRandom = (type & RAND) != 0; in CoE()
1094 if (doRandom) { in reset()
/dports/java/openjdk17/jdk17u-jdk-17.0.1-12-1/src/demo/share/jfc/J2Ddemo/java2d/
H A DIntro.java1080 private boolean doRandom; field in Intro.Surface.CoE
1089 doRandom = (type & RAND) != 0; in CoE()
1094 if (doRandom) { in reset()
/dports/java/openjdk12/openjdk-jdk12u-jdk-12.0.2-10-4/src/demo/share/jfc/J2Ddemo/java2d/
H A DIntro.java1080 private boolean doRandom; field in Intro.Surface.CoE
1089 doRandom = (type & RAND) != 0; in CoE()
1094 if (doRandom) { in reset()
/dports/java/openjdk15/jdk15u-jdk-15.0.6-1-1/src/demo/share/jfc/J2Ddemo/java2d/
H A DIntro.java1080 private boolean doRandom; field in Intro.Surface.CoE
1089 doRandom = (type & RAND) != 0; in CoE()
1094 if (doRandom) { in reset()
/dports/java/openjdk14/jdk14u-jdk-14.0.2-12-1/src/demo/share/jfc/J2Ddemo/java2d/
H A DIntro.java1080 private boolean doRandom; field in Intro.Surface.CoE
1089 doRandom = (type & RAND) != 0; in CoE()
1094 if (doRandom) { in reset()
/dports/editors/fpc-ide/fpc-3.2.2/rtl/os2/
H A Ddoscalls.pas717 doRandom = 512;
735 OPEN_FLAGS_RANDOM =doRandom; { ---- -010 ---- ---- }
737 or doRandom; { ---- -011 ---- ---- }
/dports/lang/fpc-utils/fpc-3.2.2/rtl/os2/
H A Ddoscalls.pas717 doRandom = 512;
735 OPEN_FLAGS_RANDOM =doRandom; { ---- -010 ---- ---- }
737 or doRandom; { ---- -011 ---- ---- }
/dports/lang/fpc-source/fpc-3.2.2/rtl/os2/
H A Ddoscalls.pas717 doRandom = 512;
735 OPEN_FLAGS_RANDOM =doRandom; { ---- -010 ---- ---- }
737 or doRandom; { ---- -011 ---- ---- }
/dports/lang/fpc/fpc-3.2.2/rtl/os2/
H A Ddoscalls.pas717 doRandom = 512;
735 OPEN_FLAGS_RANDOM =doRandom; { ---- -010 ---- ---- }
737 or doRandom; { ---- -011 ---- ---- }
/dports/science/rdkit/rdkit-Release_2021_03_5/Docs/Book/
H A DCookbook.rst1976 smis.append(Chem.MolToSmiles(mol,doRandom=True,canonical=False))
/dports/science/rdkit/rdkit-Release_2021_03_5/
H A DReleaseNotes.md1203 - Add doRandom to the header docs