/dports/science/cdk/cdk-cdk-2.3/descriptor/fingerprint/src/test/java/org/openscience/cdk/fingerprint/ |
H A D | MACCSFingerprinterTest.java | 76 BitSet bs1 = printer.getBitFingerprint(mol1).asBitSet(); in testFingerprint() 77 BitSet bs2 = printer.getBitFingerprint(mol2).asBitSet(); in testFingerprint() 78 BitSet bs3 = printer.getBitFingerprint(mol3).asBitSet(); in testFingerprint() 109 BitSet bs1 = printer.getBitFingerprint(mol1).asBitSet(); in testfp2() 110 BitSet bs2 = printer.getBitFingerprint(mol2).asBitSet(); in testfp2() 111 BitSet bs3 = printer.getBitFingerprint(mol3).asBitSet(); in testfp2() 143 superBits.asBitSet(), in testBug706786() 144 … is(asBitSet(53, 56, 65, 71, 73, 88, 97, 104, 111, 112, 126, 130, 136, 138, 139, 140, 142, 143, in testBug706786() 147 subBits.asBitSet(), in testBug706786() 148 …is(asBitSet(56, 97, 104, 108, 112, 117, 131, 136, 143, 144, 146, 151, 152, 156, 161, 162, 163, 164… in testBug706786()
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H A D | PubchemFingerprinterTest.java | 94 BitSet bs1 = printer.getBitFingerprint(mol1).asBitSet(); in testFingerprint() 95 BitSet bs2 = printer.getBitFingerprint(mol2).asBitSet(); in testFingerprint() 143 BitSet fp = printer.getBitFingerprint(mol).asBitSet(); in testCID2518130() 166 BitSet fp = printer.getBitFingerprint(mol).asBitSet(); in testCID5934166() 189 BitSet fp = printer.getBitFingerprint(mol).asBitSet(); in testCID25181289() 208 BitSet fp = printer.getBitFingerprint(mol).asBitSet(); in testGetFingerprintAsBytes() 255 BitSet fp = printer.getBitFingerprint(mol).asBitSet(); in testBenzene() 286 BitSet bs1 = fp.getBitFingerprint(mol1).asBitSet(); in testMultithreadedUsage() 287 BitSet bs2 = fp.getBitFingerprint(mol2).asBitSet(); in testMultithreadedUsage() 351 subBits.asBitSet(), in testBug934819() [all …]
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H A D | EStateFingerprinterTest.java | 71 Assert.assertTrue(FingerprinterTool.isSubset(bs2.asBitSet(), bs1.asBitSet())); in testFingerprint() 101 assertThat(superBits.asBitSet(), is(asBitSet(6, 11, 12, 15, 16, 18, 33, 34, 35))); in testBug706786() 102 assertThat(subBits.asBitSet(), is(asBitSet(8, 11, 16, 35))); in testBug706786()
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H A D | ShortestPathFingerprinterTest.java | 102 fingerprint1 = fingerprint.getBitFingerprint(molecule).asBitSet(); in testGenerateFingerprint() 174 fingerprint1 = fingerprint.getBitFingerprint(molecule).asBitSet(); in testGenerateFingerprintAnthracene() 225 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testFingerprinter() 228 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testFingerprinter() 239 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testFingerprinter_int() 242 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testFingerprinter_int() 253 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testFingerprinter_int_int() 256 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testFingerprinter_int_int() 266 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testFingerprinterBitSetSize() 282 BitSet b1 = fp.getBitFingerprint(butane).asBitSet(); in testBug2819557() [all …]
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H A D | SubstructureFingerprinterTest.java | 83 assertThat(superBits.asBitSet(), in testBug706786() 85 assertThat(subBits.asBitSet(), is(asBitSet(1, 17, 273, 274, 278, 294, 306))); in testBug706786() 157 BitSet bs0 = printer.getBitFingerprint(mol0).asBitSet(); in testCountableMACCSBinary() 158 BitSet bs1 = printer.getBitFingerprint(mol1).asBitSet(); in testCountableMACCSBinary() 159 BitSet bs2 = printer.getBitFingerprint(mol2).asBitSet(); in testCountableMACCSBinary() 188 bs = printer.getBitFingerprint(mol).asBitSet(); in testCountableMACCSBinary2() 208 bs = printer.getBitFingerprint(mol).asBitSet(); in testCountableMACCSBinary2() 337 bs = printer.getBitFingerprint(mol).asBitSet(); in testCountableMACCSBinary_Rings() 349 bs = printer.getBitFingerprint(mol).asBitSet(); in testCountableMACCSBinary_Rings() 361 bs = printer.getBitFingerprint(mol).asBitSet(); in testCountableMACCSBinary_Rings() [all …]
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H A D | ExtendedFingerprinterTest.java | 70 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testgetBitFingerprint_IAtomContainer() 72 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testgetBitFingerprint_IAtomContainer() 87 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testgetBitFingerprint_IAtomContainer_IRingSet_List() 105 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testExtendedFingerprinter_int() 107 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testExtendedFingerprinter_int() 118 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testExtendedFingerprinter_int_int() 120 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testExtendedFingerprinter_int_int() 173 BitSet bs = fingerprinter.getBitFingerprint(ac1).asBitSet(); in testDifferentRingFinders() 174 BitSet bs1 = fingerprinter.getBitFingerprint(ac2).asBitSet(); in testDifferentRingFinders() 379 BitSet bs1 = fingerprinter.getBitFingerprint(molsingle).asBitSet(); in testCondensedSingle() [all …]
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H A D | KlekotaRothFingerprinterTest.java | 57 BitSet bs1 = printer.getBitFingerprint(parser.parseSmiles("C=C-C#N")).asBitSet(); in testFingerprint() 58 BitSet bs2 = printer.getBitFingerprint(parser.parseSmiles("C=CCC(O)CC#N")).asBitSet(); in testFingerprint()
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H A D | CircularFingerprinterTest.java | 147 BitSet wantBits = new BitSet(), gotBits = result.asBitSet(); in testGetBitFingerprint()
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/dports/science/cdk/cdk-cdk-2.3/descriptor/fingerprint/src/test/java/org/openscience/cdk/similarity/ |
H A D | TanimotoTest.java | 63 BitSet bs1 = fingerprinter.getBitFingerprint(mol1).asBitSet(); in testTanimoto1() 64 BitSet bs2 = fingerprinter.getBitFingerprint(mol2).asBitSet(); in testTanimoto1() 75 BitSet bs1 = fingerprinter.getBitFingerprint(mol1).asBitSet(); in testTanimoto2() 76 BitSet bs2 = fingerprinter.getBitFingerprint(mol2).asBitSet(); in testTanimoto2() 128 BitSet bs1 = fingerprinter.getBitFingerprint(molecule1).asBitSet(); in keggR00258() 129 BitSet bs2 = fingerprinter.getBitFingerprint(molecule2).asBitSet(); in keggR00258() 130 BitSet bs3 = fingerprinter.getBitFingerprint(molecule3).asBitSet(); in keggR00258() 131 BitSet bs4 = fingerprinter.getBitFingerprint(molecule4).asBitSet(); in keggR00258() 180 BitSet bs1 = fingerprinter.getBitFingerprint(mol1).asBitSet(); in testCompareBitSetandBitFingerprintTanimoto() 181 BitSet bs2 = fingerprinter.getBitFingerprint(mol2).asBitSet(); in testCompareBitSetandBitFingerprintTanimoto()
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/dports/science/cdk/cdk-cdk-2.3/base/test-standard/src/test/java/org/openscience/cdk/fingerprint/ |
H A D | FingerprinterTest.java | 118 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testFingerprinter() 120 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testFingerprinter() 130 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testFingerprinter_int() 132 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testFingerprinter_int() 142 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testFingerprinter_int_int() 144 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testFingerprinter_int_int() 153 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testFingerprinterBitSetSize() 203 BitSet b1 = fp.getBitFingerprint(butane).asBitSet(); in testBug2819557() 204 BitSet b2 = fp.getBitFingerprint(propylAmine).asBitSet(); in testBug2819557()
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H A D | AbstractFixedLengthFingerprinterTest.java | 77 BitSet superBS = fingerprinter.getBitFingerprint(superStructure).asBitSet(); in testBug706786() 78 BitSet subBS = fingerprinter.getBitFingerprint(subStructure).asBitSet(); in testBug706786() 108 BitSet superBS = fingerprinter.getBitFingerprint(superstructure).asBitSet(); in testBug853254() 109 BitSet subBS = fingerprinter.getBitFingerprint(substructure).asBitSet(); in testBug853254() 132 BitSet superBS = fingerprinter.getBitFingerprint(superStructure).asBitSet(); in testBug934819() 133 BitSet subBS = fingerprinter.getBitFingerprint(subStructure).asBitSet(); in testBug934819() 176 BitSet superBS = fingerprinter.getBitFingerprint(structure2).asBitSet(); in testBug771485() 177 BitSet subBS = fingerprinter.getBitFingerprint(structure1).asBitSet(); in testBug771485() 205 BitSet bs1 = fingerprinter.getBitFingerprint(structure1).asBitSet(); in testBug931608() 206 BitSet bs2 = fingerprinter.getBitFingerprint(structure2).asBitSet(); in testBug931608() [all …]
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H A D | GraphOnlyFingerprinterTest.java | 94 BitSet bs1 = printer.getBitFingerprint((IAtomContainer) mol1.clone()).asBitSet(); in testFingerPrint() 95 BitSet bs2 = printer.getBitFingerprint((IAtomContainer) mol2.clone()).asBitSet(); in testFingerPrint()
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H A D | FingerprinterToolTest.java | 54 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testIsSubset_BitSet_BitSet() 56 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testIsSubset_BitSet_BitSet()
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/dports/science/cdk/cdk-cdk-2.3/tool/builder3d/src/test/java/org/openscience/cdk/modeling/builder3d/ |
H A D | TemplateHandler3DTest.java | 86 Assert.assertEquals(expected[i], bs.asBitSet()); in testFingerprints() 112 Assert.assertEquals(expected[i], bs.asBitSet()); in testAnonFingerprints()
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/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/fingerprint/ |
H A D | IBitFingerprint.java | 103 public BitSet asBitSet(); in asBitSet() method
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/dports/science/cdk/cdk-cdk-2.3/base/standard/src/main/java/org/openscience/cdk/fingerprint/ |
H A D | AbstractFingerprinter.java | 63 return getBitFingerprint(mol).asBitSet(); in getFingerprint()
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H A D | BitSetFingerprint.java | 114 public BitSet asBitSet() { in asBitSet() method in BitSetFingerprint
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H A D | IntArrayFingerprint.java | 185 public BitSet asBitSet() { in asBitSet() method in IntArrayFingerprint
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/modelset/ |
H A D | Measurement.java | 200 boolean asBitSet = (sep.equals(" ")); in getMeasurementScript() 202 sb.append(i > 1 ? sep : " ").append(getLabel(i, asBitSet, withModelIndex)); in getMeasurementScript() 502 public String getLabel(int i, boolean asBitSet, boolean withModelIndex) { in getLabel() argument 509 : asBitSet ? "({" + atomIndex + "})" in getLabel()
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/script/ |
H A D | ScriptMathProcessor.java | 65 public boolean asBitSet; field in ScriptMathProcessor 113 boolean asVector, boolean asBitSet, boolean allowUnderflow, String key) { in ScriptMathProcessor() argument 122 this.asBitSet = asBitSet; in ScriptMathProcessor() 157 if (asBitSet) in getResult() 166 if (asBitSet && x.tok == T.varray) in getResult()
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/shape/ |
H A D | Measures.java | 561 private static String getMessage(Measurement m, boolean asBitSet) { in getMessage() argument 568 sb.append(m.getLabel(i, asBitSet, false)); in getMessage()
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/scriptext/ |
H A D | MathExt.java | 3796 mp.asBitSet, false)); in evaluateWithin()
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