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Searched refs:asBitSet (Results 1 – 22 of 22) sorted by relevance

/dports/science/cdk/cdk-cdk-2.3/descriptor/fingerprint/src/test/java/org/openscience/cdk/fingerprint/
H A DMACCSFingerprinterTest.java76 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()
H A DPubchemFingerprinterTest.java94 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 …]
H A DEStateFingerprinterTest.java71 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()
H A DShortestPathFingerprinterTest.java102 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 …]
H A DSubstructureFingerprinterTest.java83 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()
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H A DExtendedFingerprinterTest.java70 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()
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H A DKlekotaRothFingerprinterTest.java57 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()
H A DCircularFingerprinterTest.java147 BitSet wantBits = new BitSet(), gotBits = result.asBitSet(); in testGetBitFingerprint()
/dports/science/cdk/cdk-cdk-2.3/descriptor/fingerprint/src/test/java/org/openscience/cdk/similarity/
H A DTanimotoTest.java63 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()
/dports/science/cdk/cdk-cdk-2.3/base/test-standard/src/test/java/org/openscience/cdk/fingerprint/
H A DFingerprinterTest.java118 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()
H A DAbstractFixedLengthFingerprinterTest.java77 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 …]
H A DGraphOnlyFingerprinterTest.java94 BitSet bs1 = printer.getBitFingerprint((IAtomContainer) mol1.clone()).asBitSet(); in testFingerPrint()
95 BitSet bs2 = printer.getBitFingerprint((IAtomContainer) mol2.clone()).asBitSet(); in testFingerPrint()
H A DFingerprinterToolTest.java54 BitSet bs = fingerprinter.getBitFingerprint(mol).asBitSet(); in testIsSubset_BitSet_BitSet()
56 BitSet bs1 = fingerprinter.getBitFingerprint(frag1).asBitSet(); in testIsSubset_BitSet_BitSet()
/dports/science/cdk/cdk-cdk-2.3/tool/builder3d/src/test/java/org/openscience/cdk/modeling/builder3d/
H A DTemplateHandler3DTest.java86 Assert.assertEquals(expected[i], bs.asBitSet()); in testFingerprints()
112 Assert.assertEquals(expected[i], bs.asBitSet()); in testAnonFingerprints()
/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/fingerprint/
H A DIBitFingerprint.java103 public BitSet asBitSet(); in asBitSet() method
/dports/science/cdk/cdk-cdk-2.3/base/standard/src/main/java/org/openscience/cdk/fingerprint/
H A DAbstractFingerprinter.java63 return getBitFingerprint(mol).asBitSet(); in getFingerprint()
H A DBitSetFingerprint.java114 public BitSet asBitSet() { in asBitSet() method in BitSetFingerprint
H A DIntArrayFingerprint.java185 public BitSet asBitSet() { in asBitSet() method in IntArrayFingerprint
/dports/science/jmol/jmol-14.32.7/src/org/jmol/modelset/
H A DMeasurement.java200 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()
/dports/science/jmol/jmol-14.32.7/src/org/jmol/script/
H A DScriptMathProcessor.java65 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()
/dports/science/jmol/jmol-14.32.7/src/org/jmol/shape/
H A DMeasures.java561 private static String getMessage(Measurement m, boolean asBitSet) { in getMessage() argument
568 sb.append(m.getLabel(i, asBitSet, false)); in getMessage()
/dports/science/jmol/jmol-14.32.7/src/org/jmol/scriptext/
H A DMathExt.java3796 mp.asBitSet, false)); in evaluateWithin()