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Searched refs:Smarts (Results 1 – 25 of 67) sorted by relevance

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/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/
H A DSmartsExprWriteTest.java33 import org.openscience.cdk.smarts.Smarts;
231 assertThat(Smarts.generateAtom(expr), in usrRecrOr()
278 assertTrue(Smarts.parse(mol, "C!~C")); in bondFalse()
284 assertTrue(Smarts.parse(mol, "C!@C")); in bondInChain()
290 assertTrue(Smarts.parse(mol, "C@C")); in bondInRing()
296 assertTrue(Smarts.parse(mol, "C#C")); in tripleBond()
302 assertTrue(Smarts.parse(mol, "C!#C")); in notTripleBond()
401 assertTrue(Smarts.parse(mol, "C/C=C/C")); in bondStereoTrans()
421 assertTrue(Smarts.parse(mol, "C/C=C!/C")); in bondStereoCisUnspec()
480 assertTrue(Smarts.parse(mol, "C/C=C/C")); in multipleReads()
[all …]
H A DSmartsExprReadTest.java40 import org.openscience.cdk.smarts.Smarts;
116 assertFalse(Smarts.parse(mol, "*-,*")); in trailingBondOperator()
117 assertFalse(Smarts.parse(mol, "*-;*")); in trailingBondOperator()
118 assertFalse(Smarts.parse(mol, "*-&*")); in trailingBondOperator()
128 assertTrue(Smarts.parse(mol, "*!-*")); in leadingBondOperator()
433 assertTrue(Smarts.parse(mol, "[Z8]", Smarts.FLAVOR_DAYLIGHT)); in ringSize()
442 assertTrue(Smarts.parse(mol, "[Z0]", Smarts.FLAVOR_DAYLIGHT)); in ringSize0()
451 assertTrue(Smarts.parse(mol, "[Z]", Smarts.FLAVOR_DAYLIGHT)); in ringSizeDefault()
460 assertTrue(Smarts.parse(mol, "[Z2]", Smarts.FLAVOR_CACTVS)); in adjacentHeteroCount()
469 assertTrue(Smarts.parse(mol, "[Z]", Smarts.FLAVOR_CACTVS)); in adjacentHetero()
[all …]
H A DParserTest.java27 import org.openscience.cdk.smarts.Smarts;
48 if (!Smarts.parse(builder.newAtomContainer(), smarts, flav)) in parse()
49 throw new InvalidSmarts(Smarts.getLastErrorMesg()); in parse()
53 parse(smarts, Smarts.FLAVOR_LOOSE); in parse()
59 if (!Smarts.parse(builder.newAtomContainer(), "CCCJCCC")) { in errorHandling()
1419 parse("[G14]", Smarts.FLAVOR_CDK_LEGACY); in testPeriodicGroupNumber1()
1424 parse("[G14,G15]", Smarts.FLAVOR_CDK_LEGACY); in testPeriodicGroupNumber2()
1429 parse("[G19]", Smarts.FLAVOR_CDK_LEGACY); in testPeriodicGroupNumber3()
1434 parse("[G0]", Smarts.FLAVOR_CDK_LEGACY); in testPeriodicGroupNumber4()
1439 parse("[G345]", Smarts.FLAVOR_CDK_LEGACY); in testPeriodicGroupNumber5()
[all …]
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/isomorphism/
H A DHydrogenSuppressionTest.java30 import org.openscience.cdk.smarts.Smarts;
41 assertTrue(Smarts.parse(qry, smainp)); in test()
43 String smaact = Smarts.generate(sup); in test()
/dports/deskutils/calibre/calibre-src-5.34.0/src/calibre/gui2/tweak_book/editor/smarts/
H A Dcss.py38 class Smarts(NullSmarts): class
41 if not hasattr(Smarts, 'regexps_compiled'):
42 Smarts.regexps_compiled = True
43 Smarts.complete_attr_pat = re.compile(r'''url\s*\(\s*['"]{0,1}([^)]*)$''')
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/main/java/org/openscience/cdk/smarts/
H A DSmartsPattern.java99 if (!Smarts.parse(query, smarts)) in SmartsPattern()
102 Smarts.getLastErrorMesg() + "\n" + in SmartsPattern()
103 Smarts.getLastErrorLocation()); in SmartsPattern()
/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gnat.dg/
H A Dtagged1.ads28 package Smarts is new SP packspec
31 type Fat_Reference_Type is new Smarts.Smart_Pointer_Type;
/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gnat.dg/
H A Dtagged1.ads28 package Smarts is new SP packspec
31 type Fat_Reference_Type is new Smarts.Smart_Pointer_Type;
/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gnat.dg/
H A Dtagged1.ads28 package Smarts is new SP packspec
31 type Fat_Reference_Type is new Smarts.Smart_Pointer_Type;
/dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gnat.dg/
H A Dtagged1.ads28 package Smarts is new SP packspec
31 type Fat_Reference_Type is new Smarts.Smart_Pointer_Type;
/dports/lang/gcc9-aux/gcc-9.1.0/gcc/testsuite/gnat.dg/
H A Dtagged1.ads28 package Smarts is new SP packspec
31 type Fat_Reference_Type is new Smarts.Smart_Pointer_Type;
/dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/testsuite/gnat.dg/
H A Dtagged1.ads28 package Smarts is new SP packspec
31 type Fat_Reference_Type is new Smarts.Smart_Pointer_Type;
/dports/devel/avr-gcc/gcc-10.2.0/gcc/testsuite/gnat.dg/
H A Dtagged1.ads28 package Smarts is new SP packspec
31 type Fat_Reference_Type is new Smarts.Smart_Pointer_Type;
/dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gnat.dg/
H A Dtagged1.ads28 package Smarts is new SP packspec
31 type Fat_Reference_Type is new Smarts.Smart_Pointer_Type;
/dports/lang/gcc10-devel/gcc-10-20211008/gcc/testsuite/gnat.dg/
H A Dtagged1.ads28 package Smarts is new SP
31 type Fat_Reference_Type is new Smarts.Smart_Pointer_Type;
/dports/lang/gcc9/gcc-9.4.0/gcc/testsuite/gnat.dg/
H A Dtagged1.ads28 package Smarts is new SP packspec
31 type Fat_Reference_Type is new Smarts.Smart_Pointer_Type;
/dports/devel/llvm90/llvm-9.0.1.src/test/CodeGen/X86/
H A D2008-03-31-SpillerFoldingBug.ll4 %"struct.Smarts::Runnable" = type { i32 (...)**, i32 }
9 …%"struct.std::locale::_Impl" = type { i32, %"struct.Smarts::Runnable"**, i32, %"struct.Smarts::Run…
/dports/devel/llvm80/llvm-8.0.1.src/test/CodeGen/X86/
H A D2008-03-31-SpillerFoldingBug.ll4 %"struct.Smarts::Runnable" = type { i32 (...)**, i32 }
9 …%"struct.std::locale::_Impl" = type { i32, %"struct.Smarts::Runnable"**, i32, %"struct.Smarts::Run…
/dports/devel/llvm70/llvm-7.0.1.src/test/CodeGen/X86/
H A D2008-03-31-SpillerFoldingBug.ll4 %"struct.Smarts::Runnable" = type { i32 (...)**, i32 }
9 …%"struct.std::locale::_Impl" = type { i32, %"struct.Smarts::Runnable"**, i32, %"struct.Smarts::Run…
/dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smiles/smarts/
H A DSmartsPattern.java35 import org.openscience.cdk.smarts.Smarts;
104 if (!Smarts.parse(query, smarts)) in SmartsPattern()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolStandardize/
H A DCharge.h39 std::string Smarts; member
43 : Name(name), Smarts(smarts), Charge(charge) {} in ChargeCorrection()
/dports/devel/llvm-cheri/llvm-project-37c49ff00e3eadce5d8703fdc4497f28458c64a8/llvm/test/CodeGen/X86/
H A D2008-03-31-SpillerFoldingBug.ll5 %"struct.Smarts::Runnable" = type { i32 (...)**, i32 }
10 …%"struct.std::locale::_Impl" = type { i32, %"struct.Smarts::Runnable"**, i32, %"struct.Smarts::Run…
/dports/devel/llvm-devel/llvm-project-f05c95f10fc1d8171071735af8ad3a9e87633120/llvm/test/CodeGen/X86/
H A D2008-03-31-SpillerFoldingBug.ll5 %"struct.Smarts::Runnable" = type { i32 (...)**, i32 }
10 …%"struct.std::locale::_Impl" = type { i32, %"struct.Smarts::Runnable"**, i32, %"struct.Smarts::Run…
/dports/devel/wasi-libcxx/llvm-project-13.0.1.src/llvm/test/CodeGen/X86/
H A D2008-03-31-SpillerFoldingBug.ll5 %"struct.Smarts::Runnable" = type { i32 (...)**, i32 }
10 …%"struct.std::locale::_Impl" = type { i32, %"struct.Smarts::Runnable"**, i32, %"struct.Smarts::Run…
/dports/graphics/llvm-mesa/llvm-13.0.1.src/test/CodeGen/X86/
H A D2008-03-31-SpillerFoldingBug.ll5 %"struct.Smarts::Runnable" = type { i32 (...)**, i32 }
10 …%"struct.std::locale::_Impl" = type { i32, %"struct.Smarts::Runnable"**, i32, %"struct.Smarts::Run…

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