Changeset 43ed42
- Timestamp:
- Mar 18, 2010, 2:48:20 PM (15 years ago)
- Children:
- 36b8d8
- Parents:
- 5738177
- Location:
- molecuilder/src
- Files:
-
- 2 added
- 5 edited
Legend:
- Unmodified
- Added
- Removed
-
molecuilder/src/Makefile.am
r5738177 r43ed42 32 32 33 33 DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \ 34 Descriptors/AtomIdDescriptor.cpp \ 35 Descriptors/AtomTypeDescriptor.cpp \ 34 36 Descriptors/MoleculeDescriptor.cpp \ 35 Descriptors/MoleculeIdDescriptor.cpp 37 Descriptors/MoleculeIdDescriptor.cpp 36 38 37 # Descriptors/AtomIdDescriptor.cpp38 # Descriptors/AtomTypeDescriptor.cpp39 39 40 40 DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \ 41 Descriptors/AtomIdDescriptor.hpp \ 42 Descriptors/AtomTypeDescriptor.hpp \ 41 43 Descriptors/MoleculeDescriptor.hpp \ 42 44 Descriptors/MoleculeIdDescriptor.hpp 43 45 44 # Descriptors/AtomIdDescriptor.hpp 45 # Descriptors/AtomTypeDescriptor.hpp 46 46 47 47 48 SOURCE = ${ANALYSISSOURCE} \ … … 60 61 graph.cpp \ 61 62 helpers.cpp \ 63 Helpers/Assert.cpp \ 62 64 info.cpp \ 63 65 leastsquaremin.cpp \ -
molecuilder/src/builder.cpp
r5738177 r43ed42 2190 2190 char *ConfigFileName = NULL; 2191 2191 int j; 2192 2192 2193 setVerbosity(0); 2193 2194 /* structure of ParseCommandLineOptions will be refactored later */ -
molecuilder/src/unittests/AtomDescriptorTest.cpp
r5738177 r43ed42 81 81 } 82 82 void AtomDescriptorTest::AtomIdTest(){ 83 #if 084 83 // test Atoms from boundaries and middle of the set 85 84 atom* testAtom; … … 106 105 testAtom = World::getInstance().getAtom(AtomById(outsideId)); 107 106 CPPUNIT_ASSERT(!testAtom); 108 #endif109 107 } 110 108 void AtomDescriptorTest::AtomCalcTest(){ … … 142 140 CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateAtoms(testAtoms)); 143 141 } 144 #if 0145 142 // exclude and include some atoms 146 143 { … … 158 155 CPPUNIT_ASSERT_EQUAL( atomIds[ATOM_COUNT/2], testAtoms[0]->getId()); 159 156 } 160 #endif161 157 } -
molecuilder/src/unittests/atomsCalculationTest.cpp
r5738177 r43ed42 83 83 84 84 void atomsCalculationTest::testCalculateExcluded(){ 85 #if 086 85 atomId_t excluded = atomIds[ATOM_COUNT/2]; 87 86 AtomsCalculation<atomId_t> *calc = World::getInstance().calcOnAtoms<atomId_t>(boost::bind(&atom::getId,_1),"FOO",AllAtoms() && !AtomById(excluded)); … … 92 91 CPPUNIT_ASSERT(hasNoDuplicates(allIds)); 93 92 CPPUNIT_ASSERT_EQUAL((size_t)(ATOM_COUNT-1),allIds.size()); 94 #endif95 93 } -
molecuilder/src/unittests/manipulateAtomsTest.cpp
r5738177 r43ed42 102 102 103 103 void manipulateAtomsTest::testManipulateExcluded(){ 104 #if 0 104 105 105 ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms() && !AtomById(ATOM_COUNT/2)); 106 106 proc->call(); … … 116 116 CPPUNIT_ASSERT(!atom->manipulated); 117 117 } 118 #endif119 118 } 120 119
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